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88112-91-8 | 2-Butenoic acid, 4-[4-(4-chlorophenoxy)phenyl]-4-oxo-
CAS No: 88112-91-8 Catalog No: AG004IRR MDL No:
Product Description
Catalog Number:
AG004IRR
Chemical Name:
2-Butenoic acid, 4-[4-(4-chlorophenoxy)phenyl]-4-oxo-
CAS Number:
88112-91-8
Molecular Formula:
C16H11ClO4
Molecular Weight:
302.7091
IUPAC Name:
4-[4-(4-chlorophenoxy)phenyl]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C16H11ClO4/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)15(18)9-10-16(19)20/h1-10H,(H,19,20)
InChI Key:
UKODBGCZGZJNRY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccc(cc1)Cl)C=CC(=O)O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.71g/mol
Monoisotopic Mass:
302.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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