AG00BZB9

320730-08-3 | Benzoic acid, 3-(2-hydroxyethyl)-

AG00BZB9

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CAS Number	320730-08-3
Catalog Number	AG00BZB9(AGN-PC-01MHPY)
Chemical Name	Benzoic acid, 3-(2-hydroxyethyl)-
IUPAC Name	3-(2-hydroxyethyl)benzoic acid
InChI	InChI=1S/C9H10O3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChI Key	SPXSLOBSNWHBEX-UHFFFAOYSA-N
MDL Number	MFCD09027950
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	N#CC(c1cccc(c1)C(=O)O)C
Synonyms	320730-08-3, 3-(2-Hydroxyethyl)benzoic acid, 3-(2-HYDROXY-ETHYL)-BENZOIC ACID, SCHEMBL334419, SPXSLOBSNWHBEX-UHFFFAOYSA-N, Benzoic acid, 3-(2-hydroxyethyl)-, ZINC71244837, AS-41102, SC-88666, 3-(1-Cyanoethyl)benzoic acid, 3-(2-hydroxyethyl)benzoic acid, 95% - 1G 1g,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.062994g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.17g/mol
Monoisotopic Mass	166.062994g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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