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114971-88-9 | 4,5-Hexadienoic acid, methyl ester
CAS No: 114971-88-9 Catalog No: AG000FIQ MDL No:
Product Description
Catalog Number:
AG000FIQ
Chemical Name:
4,5-Hexadienoic acid, methyl ester
CAS Number:
114971-88-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
methyl hexa-4,5-dienoate
InChI:
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h4H,1,5-6H2,2H3
InChI Key:
CUEIYTRWDOPVOE-UHFFFAOYSA-N
SMILES:
C=C=CCCC(=O)OC
Properties
Complexity:
132
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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