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Home > Indoles and Oxindole > 917614-73-4
917614-73-4 | 1H-2-Benzopyran-1-one, 3,4-dihydro-3-(1-methyl-1H-indol-2-yl)-5-nitro-
CAS No: 917614-73-4 Catalog No: AG006D4F MDL No:
Product Description
Catalog Number:
AG006D4F
Chemical Name:
1H-2-Benzopyran-1-one, 3,4-dihydro-3-(1-methyl-1H-indol-2-yl)-5-nitro-
CAS Number:
917614-73-4
Molecular Formula:
C18H14N2O4
Molecular Weight:
322.3148
IUPAC Name:
3-(1-methylindol-2-yl)-5-nitro-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C18H14N2O4/c1-19-14-7-3-2-5-11(14)9-16(19)17-10-13-12(18(21)24-17)6-4-8-15(13)20(22)23/h2-9,17H,10H2,1H3
InChI Key:
JOJXUIYNNNZFQY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1CC(OC2=O)c1cc2c(n1C)cccc2
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.32g/mol
Monoisotopic Mass:
322.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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