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Home > Indoles and Oxindole > 122834-39-3
122834-39-3 | 1-(2-methylallyl)-1H-indole-2,3-dione
CAS No: 122834-39-3 Catalog No: AG00JJNC MDL No:MFCD00230483
Product Description
Catalog Number:
AG00JJNC
Chemical Name:
1-(2-methylallyl)-1H-indole-2,3-dione
CAS Number:
122834-39-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD00230483
IUPAC Name:
1-(2-methylprop-2-enyl)indole-2,3-dione
InChI:
InChI=1S/C12H11NO2/c1-8(2)7-13-10-6-4-3-5-9(10)11(14)12(13)15/h3-6H,1,7H2,2H3
InChI Key:
XUBDXXUUQMKNFQ-UHFFFAOYSA-N
SMILES:
CC(=C)CN1c2ccccc2C(=O)C1=O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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