3-Benzylbenzoic Acid - CAS 620-54-2
Catalog: |
BB031397 |
Product Name: |
3-Benzylbenzoic Acid |
CAS: |
620-54-2 |
Synonyms: |
3-(phenylmethyl)benzoic acid; 3-benzylbenzoic acid |
IUPAC Name: | 3-benzylbenzoic acid |
Description: | 3-Benzylbenzoic Acid (CAS# 620-54-2) is a useful research chemical. |
Molecular Weight: | 212.24 |
Molecular Formula: | C14H12O2 |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C14H12O2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16) |
InChI Key: | WHUFYYNKCXXKSU-UHFFFAOYSA-N |
LogP: | 2.97560 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020022524-A1 | Cellulose monolith production method, and cellulose monolith obtained by said production method | 20180726 |
JP-WO2020022524-A1 | A method for producing a cellulose monolith and a cellulose monolith obtained by the method. | 20180726 |
EP-3816163-A1 | Cell necrosis inhibitor, preparation method therefor and use thereof | 20180626 |
TW-201932448-A | K's prodrugs and their compositions and uses | 20180110 |
US-10683262-B2 | Ketamine derivatives and compositions thereof | 20180110 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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