ethyl 3-acetylbenzoate

ethyl 3-acetylbenzoate

CAS: 37847-24-8

Formula: C11H12O3

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

IUPAC: ethyl 3-acetylbenzoate

InChI: InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.078644246
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KHTGDCLCPJJWEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.23
Topological Polar Surface Area	43.37
Polarizability	20.33
Ring Count	1
Rotatable Bond Count	4

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