DL-Benzylsuccinic acid - CAS 884-33-3
Catalog: |
BB038849 |
Product Name: |
DL-Benzylsuccinic acid |
CAS: |
884-33-3 |
Synonyms: |
Butanedioic acid, 2-(phenylmethyl)-; 2-(Phenylmethyl)butanedioic acid; Butanedioic acid, (phenylmethyl)-; Succinic acid, benzyl-; 2-Benzylsuccinic acid; Benzylsuccinic acid; NSC 20708; α-Benzylsuccinic acid |
Related CAS: | 36092-42-9 (Deleted CAS) 856290-04-5 (Deleted CAS)
|
IUPAC Name: | 2-benzylbutanedioic acid |
Description: | An effective inhibitor of carboxypeptidase A. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O |
InChI: | InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15) |
InChI Key: | GTOFKXZQQDSVFH-UHFFFAOYSA-N |
Boiling Point: | 331.4±22.0°C at 760 Torr |
Melting Point: | 162°C |
Purity: | 95% |
Density: | 1.290±0.06 g/cm3 |
MDL: | MFCD00055798 |
LogP: | 1.40460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112831033-A | Method for synthesizing aromatic-aliphatic copolyester without catalyst and product thereof | 20210105 |
CN-112557566-A | Method for detecting corresponding isomer of mitiglinide calcium intermediate S-benzylsuccinic acid | 20201212 |
CN-112062998-A | Method for manufacturing bamboo fiber wallboard capable of removing formaldehyde and releasing negative ions | 20200923 |
CN-111978528-A | Method for synthesizing aromatic polyester without catalyst and product thereof | 20200902 |
CN-111840303-A | Cytoplasmic carboxypeptidase inhibitors and uses thereof | 20200715 |
PMID | Publication Date | Title | Journal |
22040260 | 20120301 | Methanogenic toluene metabolism: community structure and intermediates | Environmental microbiology |
22623956 | 20120101 | Bacillus licheniformis BlaR1 L3 loop is a zinc metalloprotease activated by self-proteolysis | PloS one |
21572518 | 20110429 | Nerve injury evoked loss of latexin expression in spinal cord neurons contributes to the development of neuropathic pain | PloS one |
21121661 | 20110115 | Metabolites indicate hot spots of biodegradation and biogeochemical gradients in a high-resolution monitoring well | Environmental science & technology |
21804935 | 20110101 | Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A | Enzyme research |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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