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82315-40-0 | 1-Naphthalenecarboxaldehyde, 8-methoxy-5-nitro-
CAS No: 82315-40-0 Catalog No: AG005GHD MDL No:
Product Description
Catalog Number:
AG005GHD
Chemical Name:
1-Naphthalenecarboxaldehyde, 8-methoxy-5-nitro-
CAS Number:
82315-40-0
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
IUPAC Name:
8-methoxy-5-nitronaphthalene-1-carbaldehyde
InChI:
InChI=1S/C12H9NO4/c1-17-11-6-5-10(13(15)16)9-4-2-3-8(7-14)12(9)11/h2-7H,1H3
InChI Key:
VBIGALAEDAEBMH-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1c(C=O)ccc2)[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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