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Home > Nitro Compounds > 114184-76-8
114184-76-8 | Acenaphthylenol, 1,2-dihydromethylnitro- (9CI)
CAS No: 114184-76-8 Catalog No: AG000ARH MDL No:
Product Description
Catalog Number:
AG000ARH
Chemical Name:
Acenaphthylenol, 1,2-dihydromethylnitro- (9CI)
CAS Number:
114184-76-8
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
3-methyl-2-nitro-1,2-dihydroacenaphthylen-1-ol
InChI:
InChI=1S/C13H11NO3/c1-7-5-6-8-3-2-4-9-11(8)10(7)12(13(9)15)14(16)17/h2-6,12-13,15H,1H3
InChI Key:
VWZQDHIAKVFDQB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(O)C(C)c2c3c1cccc3ccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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