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17450-56-5 | 2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
CAS No: 17450-56-5 Catalog No: AG001ZQ6 MDL No:MFCD00011533
Product Description
Catalog Number:
AG001ZQ6
Chemical Name:
2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
CAS Number:
17450-56-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD00011533
IUPAC Name:
ethyl (E)-4-oxo-4-phenylbut-2-enoate
InChI:
InChI=1S/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChI Key:
ACXLBHHUHSJENU-CMDGGOBGSA-N
SMILES:
CCOC(=O)C=CC(=O)c1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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