3,4-(Methylenedioxy)mandelic acid - CAS 27738-46-1
Catalog: |
BB019659 |
Product Name: |
3,4-(Methylenedioxy)mandelic acid |
CAS: |
27738-46-1 |
Synonyms: |
2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid |
IUPAC Name: | 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid |
Description: | 1,3-Benzodioxole-5-glycolic Acid can be used for chemosterilant activity against tobacco budworm. |
Molecular Weight: | 196.16 |
Molecular Formula: | C9H8O5 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C(C(=O)O)O |
InChI: | InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12) |
InChI Key: | CLUJFRCEPFNVHW-UHFFFAOYSA-N |
Boiling Point: | 403.5 °C at 760 mmHg |
Density: | 1.553 g/cm3 |
MDL: | MFCD00043585 |
LogP: | 0.53330 |
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-111808065-A | Production method of 3, 4-methylenedioxymandelic acid with low pollution | 20200708 |
CN-111751248-A | Method and device for measuring reaction end point in 3, 4-methylenedioxymandelic acid synthesis reaction | 20200703 |
CN-113497231-A | Negative electrode for lithium ion secondary battery and lithium ion secondary battery provided with same | 20200318 |
DE-102021106360-A1 | NEGATIVE ELECTRODE FOR LITHIUM-ION SECONDARY BATTERY AND THIS CONTAINED LITHIUM-ION SECONDARY BATTERY | 20200318 |
US-2021305572-A1 | Negative electrode for lithium ion secondary battery, and lithium ion secondary battery including same | 20200318 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.03717335 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.03717335 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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