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77802-23-4 | 2-Naphthalenecarboxylicacid, 3-nitro-, ethyl ester
CAS No: 77802-23-4 Catalog No: AG0057IU MDL No:
Product Description
Catalog Number:
AG0057IU
Chemical Name:
2-Naphthalenecarboxylicacid, 3-nitro-, ethyl ester
CAS Number:
77802-23-4
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
ethyl 3-nitronaphthalene-2-carboxylate
InChI:
InChI=1S/C13H11NO4/c1-2-18-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14(16)17/h3-8H,2H2,1H3
InChI Key:
IBWVNHFLMNMWNK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccccc2cc1[N+](=O)[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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