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Home > Indoles and Oxindole > 118573-52-7
118573-52-7 | 1H-Indole-3-acetonitrile, 4-hydroxy-
CAS No: 118573-52-7 Catalog No: AG008124 MDL No:
Product Description
Catalog Number:
AG008124
Chemical Name:
1H-Indole-3-acetonitrile, 4-hydroxy-
CAS Number:
118573-52-7
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H8N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4H2
InChI Key:
RWBSUCOEZMIDSA-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(O)ccc2
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:
1.3
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