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Home > Indoles and Oxindole > 60442-29-7
60442-29-7 | 4,9-dihydropyrano[3,4-b]indole-1,3-dione
CAS No: 60442-29-7 Catalog No: AG00J45H MDL No:MFCD03828555
Product Description
Catalog Number:
AG00J45H
Chemical Name:
4,9-dihydropyrano[3,4-b]indole-1,3-dione
CAS Number:
60442-29-7
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
MDL Number:
MFCD03828555
IUPAC Name:
4,9-dihydropyrano[3,4-b]indole-1,3-dione
InChI:
InChI=1S/C11H7NO3/c13-9-5-7-6-3-1-2-4-8(6)12-10(7)11(14)15-9/h1-4,12H,5H2
InChI Key:
DRBDVHIEYHBCGL-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c(C1)c1ccccc1[nH]2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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