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137078-45-6 | 2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- (9CI)
CAS No: 137078-45-6 Catalog No: AG0012TJ MDL No:
Product Description
Catalog Number:
AG0012TJ
Chemical Name:
2,4-Hexadienoic acid, 5-(4-chlorophenyl)-, (E,E)- (9CI)
CAS Number:
137078-45-6
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
IUPAC Name:
5-(4-chlorophenyl)hexa-2,4-dienoic acid
InChI:
InChI=1S/C12H11ClO2/c1-9(3-2-4-12(14)15)10-5-7-11(13)8-6-10/h2-8H,1H3,(H,14,15)
InChI Key:
DUNNXJVNDJETSJ-UHFFFAOYSA-N
SMILES:
C/C(=C\C=C\C(=O)O)/c1ccc(cc1)Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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