AG007B07

37102-74-2 | 3-Methylphthalic acid

AG007B07

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CAS Number	37102-74-2
Catalog Number	AG007B07(AGN-PC-0WANJ7)
Chemical Name	3-Methylphthalic acid
IUPAC Name	3-methylphthalic acid
InChI	InChI=1S/C9H8O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	IBFJDBNISOJRCW-UHFFFAOYSA-N
MDL Number	MFCD19301546
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	O=C(O)C1=CC=CC(C)=C1C(O)=O
Synonyms	3-methyl-1,2-benzenedicarboxylic acid, 3-methylphthalate, 3-METHYLPHTHALIC ACID, 37102-74-2, 3-Methylphthalate, 3-Methyl-1,2-benzenedicarboxylic acid, 3-methyl phthalic acid, 3-methyl-phthalic acid, AC1L1TJR, SCHEMBL80110, CHEMBL569257, CTK0J0991, KS-00000SVG, Benzenedicarboxylic acid, methyl-, IBFJDBNISOJRCW-UHFFFAOYSA-N, ZINC2008236, MFCD19301546, AKOS022505360, DS-9436, 1,2-Benzenedicarboxylic acid, 3-methyl-, AK167209, CS-0061144, 29932-94-3, METHYLPHTHALIC ACID, C9-H8-O4, CID35357,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number