AG00D1B6

33797-36-3 | 2-(3-Methoxy-2-methylphenyl)acetic acid

AG00D1B6

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CAS Number	33797-36-3
Catalog Number	AG00D1B6(AGN-PC-02ZHPD)
Chemical Name	2-(3-Methoxy-2-methylphenyl)acetic acid
IUPAC Name	2-(3-methoxy-2-methylphenyl)acetic acid
InChI	InChI=1S/C10H12O3/c1-7-8(6-10(11)12)4-3-5-9(7)13-2/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key	VITXJZAFITXKJF-UHFFFAOYSA-N
MDL Number	MFCD18398342
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	O=C(O)CC1=CC=CC(OC)=C1C
Synonyms	2-(3-Methoxy-2-methylphenyl)acetic acid, 33797-36-3, SCHEMBL2310865, MFCD18398342, ZINC84446114, FCH1191210, AS-54983, TZ000571, CS-0039096, [2-methyl-3-(methyloxy)phenyl]acetic acid,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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