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Home > Indoles and Oxindole > 112585-29-2
112585-29-2 | Pyrano[3,4-b]indol-1(3H)-one, 4,9-dihydro-5,7-dimethyl-
CAS No: 112585-29-2 Catalog No: AG00826B MDL No:
Product Description
Catalog Number:
AG00826B
Chemical Name:
Pyrano[3,4-b]indol-1(3H)-one, 4,9-dihydro-5,7-dimethyl-
CAS Number:
112585-29-2
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
5,7-dimethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-one
InChI:
InChI=1S/C13H13NO2/c1-7-5-8(2)11-9-3-4-16-13(15)12(9)14-10(11)6-7/h5-6,14H,3-4H2,1-2H3
InChI Key:
SRVBUHJOWQEONX-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)[nH]c1c2CCOC1=O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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