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88399-99-9 | 2,4-Heptadienoic acid, methyl ester, (Z,E)-
CAS No: 88399-99-9 Catalog No: AG004L8L MDL No:
Product Description
Catalog Number:
AG004L8L
Chemical Name:
2,4-Heptadienoic acid, methyl ester, (Z,E)-
CAS Number:
88399-99-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
methyl hepta-2,4-dienoate
InChI:
InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h4-7H,3H2,1-2H3
InChI Key:
GCYDJSKTCBITBG-UHFFFAOYSA-N
SMILES:
CC/C=C/C=C\C(=O)OC
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
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:
2
XLogP3:
2
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