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Home > Indoles and Oxindole > 88427-02-5
88427-02-5 | 2H-Indol-2-one, 1,3-dihydro-3-(1-methylpropylidene)-, (Z)-
CAS No: 88427-02-5 Catalog No: AG004HQK MDL No:
Product Description
Catalog Number:
AG004HQK
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-(1-methylpropylidene)-, (Z)-
CAS Number:
88427-02-5
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
3-butan-2-ylidene-1H-indol-2-one
InChI:
InChI=1S/C12H13NO/c1-3-8(2)11-9-6-4-5-7-10(9)13-12(11)14/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
FURLUURZVUETJR-UHFFFAOYSA-N
SMILES:
CC/C(=C/1\C(=O)Nc2c1cccc2)/C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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