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Home > Nitro Compounds > 16508-09-1
16508-09-1 | 2-Propenoic acid, 2-nitro-3-phenyl-, ethyl ester
CAS No: 16508-09-1 Catalog No: AG001V9K MDL No:
Product Description
Catalog Number:
AG001V9K
Chemical Name:
2-Propenoic acid, 2-nitro-3-phenyl-, ethyl ester
CAS Number:
16508-09-1
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
ethyl 2-nitro-3-phenylprop-2-enoate
InChI:
InChI=1S/C11H11NO4/c1-2-16-11(13)10(12(14)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
QJIKOBDFPMTGGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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