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10150-93-3 | 2-Pentenoic acid, 4-oxo-, ethyl ester, (2E)-
CAS No: 10150-93-3 Catalog No: AG0004NT MDL No:MFCD00100521
Product Description
Catalog Number:
AG0004NT
Chemical Name:
2-Pentenoic acid, 4-oxo-, ethyl ester, (2E)-
CAS Number:
10150-93-3
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD00100521
IUPAC Name:
ethyl (E)-4-oxopent-2-enoate
InChI:
InChI=1S/C7H10O3/c1-3-10-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3/b5-4+
InChI Key:
RYESNZCDHSIFDI-SNAWJCMRSA-N
SMILES:
CCOC(=O)/C=C/C(=O)C
EC Number:
600-220-2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A novel slow-inactivation-specific ion channel modulator attenuates neuropathic pain. | Pain 20110401 |
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