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Home > Nitro Compounds > 87698-39-3
87698-39-3 | 4-Pentenoic acid, 5-ethoxy-2-nitro-, ethyl ester, (Z)-
CAS No: 87698-39-3 Catalog No: AG004NCT MDL No:
Product Description
Catalog Number:
AG004NCT
Chemical Name:
4-Pentenoic acid, 5-ethoxy-2-nitro-, ethyl ester, (Z)-
CAS Number:
87698-39-3
Molecular Formula:
C9H15NO5
Molecular Weight:
217.2191
IUPAC Name:
ethyl 5-ethoxy-2-nitropent-4-enoate
InChI:
InChI=1S/C9H15NO5/c1-3-14-7-5-6-8(10(12)13)9(11)15-4-2/h5,7-8H,3-4,6H2,1-2H3
InChI Key:
VOZPKUYUSWMUTK-UHFFFAOYSA-N
SMILES:
CCO/C=C\CC(C(=O)OCC)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.221g/mol
Monoisotopic Mass:
217.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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