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Home > Nitro Compounds > 120014-79-1
120014-79-1 | 6-Chrysenol, 12-nitro-
CAS No: 120014-79-1 Catalog No: AG000Q3H MDL No:
Product Description
Catalog Number:
AG000Q3H
Chemical Name:
6-Chrysenol, 12-nitro-
CAS Number:
120014-79-1
Molecular Formula:
C18H11NO3
Molecular Weight:
289.2848
IUPAC Name:
12-nitrochrysen-6-ol
InChI:
InChI=1S/C18H11NO3/c20-18-10-16-11-5-1-3-7-13(11)17(19(21)22)9-15(16)12-6-2-4-8-14(12)18/h1-10,20H
InChI Key:
OYJWIBIGRVQKNB-UHFFFAOYSA-N
SMILES:
Oc1cc2c(c3c1cccc3)cc(c1c2cccc1)[N+](=O)[O-]
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.29g/mol
Monoisotopic Mass:
289.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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