AG006CHL

97364-15-3 | 4-(1-Hydroxyethyl)benzoic acid

AG006CHL

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CAS Number	97364-15-3
Catalog Number	AG006CHL(AGN-PC-00MKEE)
Chemical Name	4-(1-Hydroxyethyl)benzoic acid
IUPAC Name	4-(1-hydroxyethyl)benzoic acid
InChI	InChI=1S/C9H10O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3,(H,11,12)
InChI Key	UBXQIJLWYJGCCO-UHFFFAOYSA-N
MDL Number	MFCD00870634
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O=C(O)C1=CC=C(C(O)C)C=C1
Synonyms	4-(1-hydroxyethyl)benzoic acid, 97364-15-3, 4-(1-Hydroxy-ethyl)-benzoic acid, Benzoic acid, 4-(1-hydroxyethyl)-, MFCD00870634, UNII-37668KC9FE, 37668KC9FE, AC1LA2J6, SCHEMBL891852, CHEMBL335508, CTK5H9257, 4-(1-hydroxyethyl)-benzoic acid, Benzoic acid, P-1-hydroxyethyl-, DTXSID60333442, UBXQIJLWYJGCCO-UHFFFAOYSA-N, S-4-(1-Hydroxy-ethyl)-benzoic acid, AKOS006273174, DS-7140, AC-20722, AK140628, DA-00113, AB0069673, ST2410949, 4CH-016549, FT-0736513, Quinolin-7-ylboronic acid, AIDS169339, CID506061, 629644-82-2,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number