200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 889118-11-0
889118-11-0 | BENZONITRILE, 3-[(S)-(ACETYLOXY)[4-(HYDROXYMETHYL)PHENYL]METHYL]-
CAS No: 889118-11-0 Catalog No: AG00496J MDL No:
Product Description
Catalog Number:
AG00496J
Chemical Name:
BENZONITRILE, 3-[(S)-(ACETYLOXY)[4-(HYDROXYMETHYL)PHENYL]METHYL]-
CAS Number:
889118-11-0
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
[(S)-(3-cyanophenyl)-[4-(hydroxymethyl)phenyl]methyl] acetate
InChI:
InChI=1S/C17H15NO3/c1-12(20)21-17(15-7-5-13(11-19)6-8-15)16-4-2-3-14(9-16)10-18/h2-9,17,19H,11H2,1H3/t17-/m0/s1
InChI Key:
ZKEMPZYSUFEEDU-KRWDZBQOSA-N
SMILES:
OCc1ccc(cc1)[C@@H](c1cccc(c1)C#N)OC(=O)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.