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Home > Nitro Compounds > 120014-85-9
120014-85-9 | Benzo[a]pyren-7-ol, 7,8,9,10-tetrahydro-1-nitro-
CAS No: 120014-85-9 Catalog No: AG000Q3G MDL No:
Product Description
Catalog Number:
AG000Q3G
Chemical Name:
Benzo[a]pyren-7-ol, 7,8,9,10-tetrahydro-1-nitro-
CAS Number:
120014-85-9
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
IUPAC Name:
1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
InChI:
InChI=1S/C20H15NO3/c22-18-3-1-2-13-14-7-8-15-17(21(23)24)9-6-11-4-5-12(10-16(13)18)20(14)19(11)15/h4-10,18,22H,1-3H2
InChI Key:
ROUCWEBNTWMOKZ-UHFFFAOYSA-N
SMILES:
OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-]
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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