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Home > Nitro Compounds > 89510-50-9
89510-50-9 | 1(2H)-Naphthalenone, 2-hydroxy-2-(3-methyl-2-butenyl)-3-nitro-
CAS No: 89510-50-9 Catalog No: AG004132 MDL No:
Product Description
Catalog Number:
AG004132
Chemical Name:
1(2H)-Naphthalenone, 2-hydroxy-2-(3-methyl-2-butenyl)-3-nitro-
CAS Number:
89510-50-9
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
2-hydroxy-2-(3-methylbut-2-enyl)-3-nitronaphthalen-1-one
InChI:
InChI=1S/C15H15NO4/c1-10(2)7-8-15(18)13(16(19)20)9-11-5-3-4-6-12(11)14(15)17/h3-7,9,18H,8H2,1-2H3
InChI Key:
GEFSOFPGEPDYMO-UHFFFAOYSA-N
SMILES:
CC(=CCC1(O)C(=Cc2c(C1=O)cccc2)[N+](=O)[O-])C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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