AG000MFP

1245919-29-2 | 4-(Methoxycarbonyl)-2-methylbenzoic acid

AG000MFP

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CAS Number	1245919-29-2
Catalog Number	AG000MFP(AGN-PC-0WNRRW)
Chemical Name	4-(Methoxycarbonyl)-2-methylbenzoic acid
IUPAC Name	4-methoxycarbonyl-2-methylbenzoic acid
InChI	InChI=1S/C10H10O4/c1-6-5-7(10(13)14-2)3-4-8(6)9(11)12/h3-5H,1-2H3,(H,11,12)
InChI Key	ZQKSVHOYMATPAD-UHFFFAOYSA-N
MDL Number	MFCD20641565
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	O=C(O)C1=CC=C(C(OC)=O)C=C1C
Synonyms	4-(METHOXYCARBONYL)-2-METHYLBENZOIC ACID, 1245919-29-2, 4-methoxycarbonyl-2-methylbenzoic acid, AE-562/43458584, SCHEMBL11328242, KS-00001A9O, MFCD20641565, ZINC91305379, FCH1221327, AK167474, AM806068, AS-39768, CS-0038547,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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