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Home > Nitro Compounds > 138090-25-2
138090-25-2 | 2-Chrysenol, 5,11-diethyl-5,6,11,12-tetrahydro-8-nitro-, trans- (9CI)
CAS No: 138090-25-2 Catalog No: AG0017ZB MDL No:
Product Description
Catalog Number:
AG0017ZB
Chemical Name:
2-Chrysenol, 5,11-diethyl-5,6,11,12-tetrahydro-8-nitro-, trans- (9CI)
CAS Number:
138090-25-2
Molecular Formula:
C22H23NO3
Molecular Weight:
349.4229
IUPAC Name:
5,11-diethyl-8-nitro-5,6,11,12-tetrahydrochrysen-2-ol
InChI:
InChI=1S/C22H23NO3/c1-3-13-9-15-11-17(23(25)26)5-7-19(15)21-14(4-2)10-16-12-18(24)6-8-20(16)22(13)21/h5-8,11-14,24H,3-4,9-10H2,1-2H3
InChI Key:
FLNNJDAUTHCVAU-UHFFFAOYSA-N
SMILES:
CC[C@H]1Cc2cc(ccc2C2=C1c1ccc(cc1C[C@H]2CC)O)[N+](=O)[O-]
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.168g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.43g/mol
Monoisotopic Mass:
349.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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