methyl 3,4-dimethylbenzoate

methyl 3,4-dimethylbenzoate

CAS: 38404-42-1

Formula: C10H12O2

SMILES: COC(=O)C1=CC=C(C)C(C)=C1

IUPAC: methyl 3,4-dimethylbenzoate

InChI: InChI=1S/C10H12O2/c1-7-4-5-9(6-8(7)2)10(11)12-3/h4-6H,1-3H3

Composition: C (73.15%), H (7.37%), O (19.49%)

Molar Mass: 164.204

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.083729626
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PTSSKYUSCIALKU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.17
Topological Polar Surface Area	26.3
Polarizability	18.27
Ring Count	1
Rotatable Bond Count	2

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