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Home > Indoles and Oxindole > 73907-82-1
73907-82-1 | 1H-Indole-2-carbonitrile,4-(2-oxiranylmethoxy)-
CAS No: 73907-82-1 Catalog No: AG005J7L MDL No:
Product Description
Catalog Number:
AG005J7L
Chemical Name:
1H-Indole-2-carbonitrile,4-(2-oxiranylmethoxy)-
CAS Number:
73907-82-1
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
4-(oxiran-2-ylmethoxy)-1H-indole-2-carbonitrile
InChI:
InChI=1S/C12H10N2O2/c13-5-8-4-10-11(14-8)2-1-3-12(10)16-7-9-6-15-9/h1-4,9,14H,6-7H2
InChI Key:
WANDYUHWUAJSBK-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c2c(c1)c(OCC1CO1)ccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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