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136343-83-4 | 3-Butenoic acid, 4-chloro-3-formyl-4-phenyl-, ethyl ester
CAS No: 136343-83-4 Catalog No: AG0011SD MDL No:
Product Description
Catalog Number:
AG0011SD
Chemical Name:
3-Butenoic acid, 4-chloro-3-formyl-4-phenyl-, ethyl ester
CAS Number:
136343-83-4
Molecular Formula:
C13H13ClO3
Molecular Weight:
252.6935
IUPAC Name:
ethyl 4-chloro-3-formyl-4-phenylbut-3-enoate
InChI:
InChI=1S/C13H13ClO3/c1-2-17-12(16)8-11(9-15)13(14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChI Key:
MUOUISOCXWVCEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=C(c1ccccc1)Cl)C=O
Properties
Complexity:
304
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:
2.4
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