AG00CKVA

3347-99-7 | 1,3-Benzenedicarboxylic acid, 4-methyl-

AG00CKVA

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	3347-99-7
Catalog Number	AG00CKVA(AGN-PC-0JTHYP)
Chemical Name	1,3-Benzenedicarboxylic acid, 4-methyl-
IUPAC Name	4-methylbenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	PNWSHHILERSSLF-UHFFFAOYSA-N
MDL Number	MFCD09878876
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	O=C(O)C1=CC=C(C)C(C(O)=O)=C1
Synonyms	4-Methylisophthalic acid, 3347-99-7, 4-Methyl-isophthalic acid, 4-methylbenzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylic acid, 4-methyl-, PNWSHHILERSSLF-UHFFFAOYSA-N, Isophthalic acid, 4-methyl-, 4-Methylisophthalsaure, AC1LC7L0, SCHEMBL69633, CTK1B8426, 2889AJ, ZINC32202025, AKOS006311106, 4-Methyl-1,3-benzenedicarboxylic Acid, AJ-84989, SY026352, DB-068834, CS-0061172, FT-0717419, ST24043920, MFCD09878876 (95%), W-2591, Z2234631223, C9H8O4, CID595750, ACN-045849,

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	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