4,6-dimethylbenzene-1,3-dicarboxylic acid

4,6-dimethylbenzene-1,3-dicarboxylic acid

CAS: 2790-09-2

Formula: C10H10O4

SMILES: CC1=CC(C)=C(C=C1C(O)=O)C(O)=O

IUPAC: 4,6-dimethylbenzene-1,3-dicarboxylic acid

InChI: InChI=1S/C10H10O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)

Composition: C (61.85%), H (5.19%), O (32.96%)

Molar Mass: 194.186

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.057908802
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HAYIPGIFANTODX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.65
Topological Polar Surface Area	74.6
Polarizability	18.58
Ring Count	1
Rotatable Bond Count	2

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