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Home > Nitro Compounds > 89510-12-3
89510-12-3 | 1(2H)-Naphthalenone, 2-hydroxy-3-nitro-2-(2-propenyl)-
CAS No: 89510-12-3 Catalog No: AG0040SZ MDL No:
Product Description
Catalog Number:
AG0040SZ
Chemical Name:
1(2H)-Naphthalenone, 2-hydroxy-3-nitro-2-(2-propenyl)-
CAS Number:
89510-12-3
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
2-hydroxy-3-nitro-2-prop-2-enylnaphthalen-1-one
InChI:
InChI=1S/C13H11NO4/c1-2-7-13(16)11(14(17)18)8-9-5-3-4-6-10(9)12(13)15/h2-6,8,16H,1,7H2
InChI Key:
QFHKVYUKKSBFNV-UHFFFAOYSA-N
SMILES:
C=CCC1(O)C(=Cc2c(C1=O)cccc2)[N+](=O)[O-]
Properties
Complexity:
423
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:
2.6
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