AG00ECXG

620-86-0 | Diphenylmethane-4-carboxylic acid

AG00ECXG

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CAS Number	620-86-0
Catalog Number	AG00ECXG(AGN-PC-0JMOUW)
Chemical Name	Diphenylmethane-4-carboxylic acid
IUPAC Name	4-benzylbenzoic acid
InChI	InChI=1S/C14H12O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
InChI Key	FPHVRPCVNPHPBH-UHFFFAOYSA-N
MDL Number	MFCD00016540
Molecular Formula	C14H12O2
Molecular Weight	212.2439
NSC Number	172304
SMILES	OC(C1=CC=C(CC2=CC=CC=C2)C=C1)=O
Synonyms	4-Benzylbenzoic acid, 620-86-0, Diphenylmethane-4-carboxylic acid, 4-(phenylmethyl)benzoic acid, 4-BenzYl-Benzoic Acid, Benzoic acid, 4-(phenylmethyl)-, FPHVRPCVNPHPBH-UHFFFAOYSA-N, 4-Benzyl-benzoesaure, 4-benzyl benzoic acid, PubChem12535, 4-Benzylbenzoic acid #, 4-Phenylmethylbenzoic acid, AC1L38HN, SCHEMBL502598, DTXSID90211047, AC1Q7381, ZINC1697492, MFCD00016540, NSC172304, AKOS000733302, FS-4618, MCULE-6634331468, NSC-172304, Diphenylmethane-4-carboxylic acid; 98%, DB-073050, FT-0676247, ST50408875, Y-9366, A833572, C-57434, I04-4439, CID136429,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.248g/mol
Monoisotopic Mass	212.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number