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89861-31-4 | 4-Pentenoic acid, 5-(4-chlorophenyl)-3-oxo-, ethyl ester, (E)-
CAS No: 89861-31-4 Catalog No: AG003WQZ MDL No:
Product Description
Catalog Number:
AG003WQZ
Chemical Name:
4-Pentenoic acid, 5-(4-chlorophenyl)-3-oxo-, ethyl ester, (E)-
CAS Number:
89861-31-4
Molecular Formula:
C13H13ClO3
Molecular Weight:
252.6935
IUPAC Name:
ethyl 5-(4-chlorophenyl)-3-oxopent-4-enoate
InChI:
InChI=1S/C13H13ClO3/c1-2-17-13(16)9-12(15)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3
InChI Key:
RFWMRDQRGHTTGR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)/C=C/c1ccc(cc1)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.694g/mol
Monoisotopic Mass:
252.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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