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1567-14-2 | 2-Pentenoic acid, 2-methyl-, methyl ester, (2E)-
CAS No: 1567-14-2 Catalog No: AG001OWY MDL No:
Product Description
Catalog Number:
AG001OWY
Chemical Name:
2-Pentenoic acid, 2-methyl-, methyl ester, (2E)-
CAS Number:
1567-14-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
methyl (E)-2-methylpent-2-enoate
InChI:
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h5H,4H2,1-3H3/b6-5+
InChI Key:
SRORRGMOEUTSDV-AATRIKPKSA-N
SMILES:
CC/C=C(/C(=O)OC)\C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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