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88227-03-6 | 2,6-Heptadienoic acid, 3-methyl-, (E)-
CAS No: 88227-03-6 Catalog No: AG004B4O MDL No:
Product Description
Catalog Number:
AG004B4O
Chemical Name:
2,6-Heptadienoic acid, 3-methyl-, (E)-
CAS Number:
88227-03-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-methylhepta-2,6-dienoic acid
InChI:
InChI=1S/C8H12O2/c1-3-4-5-7(2)6-8(9)10/h3,6H,1,4-5H2,2H3,(H,9,10)
InChI Key:
KEHYONOPDSZDIB-UHFFFAOYSA-N
SMILES:
C/C(=C\C(=O)O)/CCC=C
Properties
Complexity:
157
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:
1
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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