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methyl 2-methoxy-6-methylbenzoate

methyl 2-methoxy-6-methylbenzoate

CAS: 79383-44-1

Formula: C10H12O3

SMILES: COC(=O)C1=C(C)C=CC=C1OC

IUPAC: methyl 2-methoxy-6-methylbenzoate

InChI: InChI=1S/C10H12O3/c1-7-5-4-6-8(12-2)9(7)10(11)13-3/h4-6H,1-3H3

Composition: C (66.65%), H (6.71%), O (26.63%)

Molar Mass: 180.203

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.078644246
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SWZOXFSVZHAWQN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.59
Topological Polar Surface Area 35.53
Polarizability 19.04
Ring Count 1
Rotatable Bond Count 3

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