3-(hydroxymethyl)phenyl 2-methylpropanoate

3-(hydroxymethyl)phenyl 2-methylpropanoate

CAS: 1260683-92-8

Formula: C11H14O3

SMILES: CC(C)C(=O)OC1=CC(CO)=CC=C1

IUPAC: 3-(hydroxymethyl)phenyl 2-methylpropanoate

InChI: InChI=1S/C11H14O3/c1-8(2)11(13)14-10-5-3-4-9(6-10)7-12/h3-6,8,12H,7H2,1-2H3

Composition: C (68.02%), H (7.27%), O (24.71%)

Molar Mass: 194.23

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.094294311
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YODAGFFHSWRVBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.21
Topological Polar Surface Area	46.53
Polarizability	20.89
Ring Count	1
Rotatable Bond Count	4

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