CCOC(=O)C1=CC=C(C=C1)C(=O)C
CAS: 38430-55-6
Name: ethyl 4-acetylbenzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)C

Molecular Processing

Molecular formula
C11H12O3
Molecular weight
192.21
Exact mass
192.0786
XLogP
2.07
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
52.4

Supplementary Information

InChIKey: GLOAPLPTWAXAIG-UHFFFAOYSA-N
Synonyme
Ethyl 4-acetylbenzoate38430-55-6DTXSID90344980RefChem:138746DTXCID70296054GLOAPLPTWAXAIG-UHFFFAOYSA-NMFCD000132414-Acetylbenzoic acid ethyl ester4-Acetyl-benzoic acid ethyl esterBenzoic acid, 4-acetyl-, ethyl ester4-Acetylbenzoic Acid Ethyl Ester; p-Acetylbenzoic Acid Ethyl Ester; 4-Acetylbenzoic Acid Ethyl Ester; 4-Ethoxycarbonylacetophenone; Ethyl 4-Acetylbenzoate; Ethyl p-AcetylbenzoateEthyl 4-acetylbenzateethyl 4-acetyl benzoateethyl 4-acetyl-benzoateSCHEMBL54211Ethyl 4-acetylbenzoate, 99%orb3031209SCHEMBL5500956Fr12738CS-M0167SC3871AKOS015891258AC-7937FA70722AS-10303SY011766DB-049286E1113EN300-19613F207897
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