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81981-05-7 | 3,4-Hexadienoic acid, methyl ester
CAS No: 81981-05-7 Catalog No: AG004ZT2 MDL No:
Product Description
Catalog Number:
AG004ZT2
Chemical Name:
3,4-Hexadienoic acid, methyl ester
CAS Number:
81981-05-7
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
methyl hexa-3,4-dienoate
InChI:
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3,5H,6H2,1-2H3
InChI Key:
LFOZXTJCPFFTFD-UHFFFAOYSA-N
SMILES:
CC=C=CCC(=O)OC
Properties
Complexity:
141
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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