3-formylphenyl acetate

3-formylphenyl acetate

CAS: 34231-78-2

Formula: C9H8O3

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

IUPAC: 3-formylphenyl acetate

InChI: InChI=1S/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H3

Composition: C (65.85%), H (4.91%), O (29.24%)

Molar Mass: 164.16

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.047344118
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GVUMZPWBUAGJBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.77
Topological Polar Surface Area	43.37
Polarizability	16.66
Ring Count	1
Rotatable Bond Count	3

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