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Home > Indoles and Oxindole > 1256576-74-5
1256576-74-5 | 2-(2-hydroxypropan-2-yl)-1H-indole-6-carbonitrile
CAS No: 1256576-74-5 Catalog No: AG01BTSA MDL No:MFCD24620160
Product Description
Catalog Number:
AG01BTSA
Chemical Name:
2-(2-hydroxypropan-2-yl)-1H-indole-6-carbonitrile
CAS Number:
1256576-74-5
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD24620160
IUPAC Name:
2-(2-hydroxypropan-2-yl)-1H-indole-6-carbonitrile
InChI:
InChI=1S/C12H12N2O/c1-12(2,15)11-6-9-4-3-8(7-13)5-10(9)14-11/h3-6,14-15H,1-2H3
InChI Key:
HJTVAAODOXTIDT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(c2)C(O)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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