200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 179248-86-3
179248-86-3 | Benzonitrile, 4-[(1S)-1-hydroxy-2-propyn-1-yl]-
CAS No: 179248-86-3 Catalog No: AG0026VC MDL No:
Product Description
Catalog Number:
AG0026VC
Chemical Name:
Benzonitrile, 4-[(1S)-1-hydroxy-2-propyn-1-yl]-
CAS Number:
179248-86-3
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
4-[(1S)-1-hydroxyprop-2-ynyl]benzonitrile
InChI:
InChI=1S/C10H7NO/c1-2-10(12)9-5-3-8(7-11)4-6-9/h1,3-6,10,12H/t10-/m0/s1
InChI Key:
JYVHGWRYMPXZHU-JTQLQIEISA-N
SMILES:
C#C[C@@H](c1ccc(cc1)C#N)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.