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Home > Nitro Compounds > 89510-11-2
89510-11-2 | 1(4H)-Naphthalenone, 2-hydroxy-3-nitro-4-(2-propenyl)-
CAS No: 89510-11-2 Catalog No: AG0040T0 MDL No:
Product Description
Catalog Number:
AG0040T0
Chemical Name:
1(4H)-Naphthalenone, 2-hydroxy-3-nitro-4-(2-propenyl)-
CAS Number:
89510-11-2
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
2-hydroxy-3-nitro-4-prop-2-enyl-4H-naphthalen-1-one
InChI:
InChI=1S/C13H11NO4/c1-2-5-9-8-6-3-4-7-10(8)12(15)13(16)11(9)14(17)18/h2-4,6-7,9,16H,1,5H2
InChI Key:
WJCMIGSMFWPQKF-UHFFFAOYSA-N
SMILES:
C=CCC1C(=C(O)C(=O)c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
421
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:
1
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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