200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 676170-12-0
676170-12-0 | 1H-Indole-5-carbonitrile, 3-[(1S,3R)-3-hydroxycyclopentyl]-
CAS No: 676170-12-0 Catalog No: AG006DEZ MDL No:
Product Description
Catalog Number:
AG006DEZ
Chemical Name:
1H-Indole-5-carbonitrile, 3-[(1S,3R)-3-hydroxycyclopentyl]-
CAS Number:
676170-12-0
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
3-[(1S,3R)-3-hydroxycyclopentyl]-1H-indole-5-carbonitrile
InChI:
InChI=1S/C14H14N2O/c15-7-9-1-4-14-12(5-9)13(8-16-14)10-2-3-11(17)6-10/h1,4-5,8,10-11,16-17H,2-3,6H2/t10-,11+/m0/s1
InChI Key:
APNAUPOSWKEISV-WDEREUQCSA-N
SMILES:
N#Cc1ccc2c(c1)c(c[nH]2)[C@H]1CC[C@H](C1)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.