AG00IJ69

955117-56-3 | 4-(Hydroxymethyl)-3-methoxybenzoic acid

AG00IJ69

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CAS Number	955117-56-3
Catalog Number	AG00IJ69(AGN-PC-0WD61M)
Chemical Name	4-(Hydroxymethyl)-3-methoxybenzoic acid
IUPAC Name	4-(hydroxymethyl)-3-methoxybenzoic acid
InChI	InChI=1S/C9H10O4/c1-13-8-4-6(9(11)12)2-3-7(8)5-10/h2-4,10H,5H2,1H3,(H,11,12)
InChI Key	BVTRLERJUCFVNY-UHFFFAOYSA-N
MDL Number	MFCD15202211
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	O=C(O)C1=CC=C(CO)C(OC)=C1
Synonyms	4-(Hydroxymethyl)-3-methoxybenzoic acid, 955117-56-3, benzoic acid, 4-(hydroxymethyl)-3-methoxy-, 4-(hydroxymethyl)-3-(methyloxy)benzoic acid, SCHEMBL2424457, BVTRLERJUCFVNY-UHFFFAOYSA-N, KS-000006GE, MFCD15202211, ZINC58826965, AKOS024258682, FCH1226189, 5-Methoxy-4-(hydroxymethyl)benzoic acid, AK151374, AS-34250, AJ-113186, CS-0049907,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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