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methyl 3-ethoxybenzoate

methyl 3-ethoxybenzoate

CAS: 108593-47-1

Formula: C10H12O3

SMILES: CCOC1=CC=CC(=C1)C(=O)OC

IUPAC: methyl 3-ethoxybenzoate

InChI: InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7-9)10(11)12-2/h4-7H,3H2,1-2H3

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 IFLQNIVRGRISMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.3
Topological Polar Surface Area 35.53
Polarizability 19.11
Ring Count 1
Rotatable Bond Count 4

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