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Home > Aldehydes > 113401-85-7
113401-85-7 | 2-Naphthalenecarboxaldehyde, 1-hydroxy-4-nitro-
CAS No: 113401-85-7 Catalog No: AG0008GV MDL No:
Product Description
Catalog Number:
AG0008GV
Chemical Name:
2-Naphthalenecarboxaldehyde, 1-hydroxy-4-nitro-
CAS Number:
113401-85-7
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
IUPAC Name:
1-hydroxy-4-nitronaphthalene-2-carbaldehyde
InChI:
InChI=1S/C11H7NO4/c13-6-7-5-10(12(15)16)8-3-1-2-4-9(8)11(7)14/h1-6,14H
InChI Key:
XYFUUKZTRNGFIK-UHFFFAOYSA-N
SMILES:
O=Cc1cc([N+](=O)[O-])c2c(c1O)cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.18g/mol
Monoisotopic Mass:
217.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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