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113644-17-0 | 2,3-Hexadienoic acid, ethyl ester
CAS No: 113644-17-0 Catalog No: AG00098H MDL No:
Product Description
Catalog Number:
AG00098H
Chemical Name:
2,3-Hexadienoic acid, ethyl ester
CAS Number:
113644-17-0
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
ethyl hexa-2,3-dienoate
InChI:
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h5,7H,3-4H2,1-2H3
InChI Key:
ZAXXLEHTVPCXIV-UHFFFAOYSA-N
SMILES:
CCC=C=CC(=O)OCC
Properties
Complexity:
153
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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