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Home > Nitro Compounds > 141110-65-8
141110-65-8 | 2,2'-Spirobi[2H-naphtho[2,3-b]pyran], 8-methoxy-8'-nitro-3-phenyl-
CAS No: 141110-65-8 Catalog No: AG001FWZ MDL No:
Product Description
Catalog Number:
AG001FWZ
Chemical Name:
2,2'-Spirobi[2H-naphtho[2,3-b]pyran], 8-methoxy-8'-nitro-3-phenyl-
CAS Number:
141110-65-8
Molecular Formula:
C32H21NO5
Molecular Weight:
499.5128
IUPAC Name:
8'-methoxy-8-nitro-3'-phenyl-2,2'-spirobi[benzo[g]chromene]
InChI:
InChI=1S/C32H21NO5/c1-36-28-10-8-22-14-26-17-29(20-5-3-2-4-6-20)32(38-31(26)19-25(22)16-28)12-11-23-13-21-7-9-27(33(34)35)15-24(21)18-30(23)37-32/h2-19H,1H3
InChI Key:
NRAOKRCXZGXMML-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc1c(c2)C=C(C2(O1)C=Cc1c(O2)cc2c(c1)ccc(c2)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
952
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.142g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
499.522g/mol
Monoisotopic Mass:
499.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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