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Home > Indoles and Oxindole > 100929-86-0
100929-86-0 | 1H-Indole-3-acetonitrile, 5-hydroxy-
CAS No: 100929-86-0 Catalog No: AG00038A MDL No:MFCD00056917
Product Description
Catalog Number:
AG00038A
Chemical Name:
1H-Indole-3-acetonitrile, 5-hydroxy-
CAS Number:
100929-86-0
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00056917
IUPAC Name:
2-(5-hydroxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H8N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3H2
InChI Key:
SHKJOZJRCTYYNW-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(O)cc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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