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Home > Nitro Compounds > 74222-04-1
74222-04-1 | 2-Propenoic acid, 3-(2-naphthalenyl)-2-nitro-, ethyl ester
CAS No: 74222-04-1 Catalog No: AG005MVD MDL No:
Product Description
Catalog Number:
AG005MVD
Chemical Name:
2-Propenoic acid, 3-(2-naphthalenyl)-2-nitro-, ethyl ester
CAS Number:
74222-04-1
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
ethyl 3-naphthalen-2-yl-2-nitroprop-2-enoate
InChI:
InChI=1S/C15H13NO4/c1-2-20-15(17)14(16(18)19)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3
InChI Key:
YHQJMLCTEMYLGW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc2c(c1)cccc2)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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