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139539-80-3 | 2-Hexenoic acid, 2-methyl-, methyl ester, (2Z)-
CAS No: 139539-80-3 Catalog No: AG001B7D MDL No:
Product Description
Catalog Number:
AG001B7D
Chemical Name:
2-Hexenoic acid, 2-methyl-, methyl ester, (2Z)-
CAS Number:
139539-80-3
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
methyl 2-methylhex-2-enoate
InChI:
InChI=1S/C8H14O2/c1-4-5-6-7(2)8(9)10-3/h6H,4-5H2,1-3H3
InChI Key:
PSOAOBLLWDXJGD-UHFFFAOYSA-N
SMILES:
CCC/C=C(\C(=O)OC)/C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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