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Home > Indoles and Oxindole > 855420-20-1
855420-20-1 | 5-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CAS No: 855420-20-1 Catalog No: AG00VU4U MDL No:MFCD16305354
Product Description
Catalog Number:
AG00VU4U
Chemical Name:
5-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CAS Number:
855420-20-1
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD16305354
IUPAC Name:
5-acetyl-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C12H13NO2/c1-7(14)8-4-5-10-9(6-8)12(2,3)11(15)13-10/h4-6H,1-3H3,(H,13,15)
InChI Key:
LQVIGFUVEHMBKF-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)cc(cc2)C(=O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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