methyl 3-methylbenzoate

methyl 3-methylbenzoate

CAS: 99-36-5

Formula: C9H10O2

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

IUPAC: methyl 3-methylbenzoate

InChI: InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3

Composition: C (71.98%), H (6.71%), O (21.31%)

Molar Mass: 150.177

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	150.068079562
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CPXCDEMFNPKOEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.12
Topological Polar Surface Area	26.3
Polarizability	16.51
Ring Count	1
Rotatable Bond Count	2

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