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114607-25-9

114607-25-9 | 2,4-Hexadienoic acid, 2-chloro-, (Z,Z)- (9CI)

CAS No: 114607-25-9 Catalog No: AG000ES9 MDL No:

Product Description

Catalog Number:
AG000ES9
Chemical Name:
2,4-Hexadienoic acid, 2-chloro-, (Z,Z)- (9CI)
CAS Number:
114607-25-9
Molecular Formula:
C6H7ClO2
Molecular Weight:
146.5716
IUPAC Name:
2-chlorohexa-2,4-dienoic acid
InChI:
InChI=1S/C6H7ClO2/c1-2-3-4-5(7)6(8)9/h2-4H,1H3,(H,8,9)
InChI Key:
ZINGPVGWKVTAAC-UHFFFAOYSA-N
SMILES:
C/C=C\C=C(\C(=O)O)/Cl

Properties

Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.013g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.57g/mol
Monoisotopic Mass:
146.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
2.1  

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