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Home > Nitro Compounds > 89718-61-6
89718-61-6 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(2-methyl-2-nitropropyl)-
CAS No: 89718-61-6 Catalog No: AG0042BI MDL No:
Product Description
Catalog Number:
AG0042BI
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-2-(2-methyl-2-nitropropyl)-
CAS Number:
89718-61-6
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
2-(2-methyl-2-nitropropyl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C14H17NO3/c1-14(2,15(17)18)9-11-8-7-10-5-3-4-6-12(10)13(11)16/h3-6,11H,7-9H2,1-2H3
InChI Key:
WJQCLFMJFVGPCY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(CC1CCc2c(C1=O)cccc2)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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