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Home > Nitro Compounds > 88472-34-8
88472-34-8 | 2-Propenoic acid, 3-(1-naphthalenyl)-2-nitro-, methyl ester
CAS No: 88472-34-8 Catalog No: AG0049RQ MDL No:
Product Description
Catalog Number:
AG0049RQ
Chemical Name:
2-Propenoic acid, 3-(1-naphthalenyl)-2-nitro-, methyl ester
CAS Number:
88472-34-8
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
methyl 3-naphthalen-1-yl-2-nitroprop-2-enoate
InChI:
InChI=1S/C14H11NO4/c1-19-14(16)13(15(17)18)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9H,1H3
InChI Key:
UTNSYXOAUGSULX-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1cccc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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