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Home > Nitro Compounds > 1217619-62-9
1217619-62-9 | R-(−)-7-Desmethyl-8-nitroBlebbistatin
CAS No: 1217619-62-9 Catalog No: AG01E09M MDL No:
Product Description
Catalog Number:
AG01E09M
Chemical Name:
R-(−)-7-Desmethyl-8-nitroBlebbistatin
CAS Number:
1217619-62-9
Molecular Formula:
C17H13N3O4
Molecular Weight:
323.3028
IUPAC Name:
(3aR)-3a-hydroxy-7-nitro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
InChI:
InChI=1S/C17H13N3O4/c21-15-13-7-6-12(20(23)24)10-14(13)18-16-17(15,22)8-9-19(16)11-4-2-1-3-5-11/h1-7,10,22H,8-9H2/t17-/m0/s1
InChI Key:
VIMYHNYWFMRDKQ-KRWDZBQOSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)N=C1[C@](C2=O)(O)CCN1c1ccccc1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
323.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.308g/mol
Monoisotopic Mass:
323.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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