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Home > Nitro Compounds > 17648-26-9
17648-26-9 | 2-Propenoic acid, 3-ethoxy-2-nitro-, methyl ester
CAS No: 17648-26-9 Catalog No: AG0024PN MDL No:
Product Description
Catalog Number:
AG0024PN
Chemical Name:
2-Propenoic acid, 3-ethoxy-2-nitro-, methyl ester
CAS Number:
17648-26-9
Molecular Formula:
C6H9NO5
Molecular Weight:
175.1394
IUPAC Name:
methyl 3-ethoxy-2-nitroprop-2-enoate
InChI:
InChI=1S/C6H9NO5/c1-3-12-4-5(7(9)10)6(8)11-2/h4H,3H2,1-2H3
InChI Key:
CLVDISHFCPMLTI-UHFFFAOYSA-N
SMILES:
CCOC=C(C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.14g/mol
Monoisotopic Mass:
175.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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