200,000+ products from a single source!
sales@angenechem.com
138145-61-6 | Butanoic acid, 3-(benzoyloxy)-4-cyano-, (S)- (9CI)
CAS No: 138145-61-6 Catalog No: AG001821 MDL No:
Product Description
Catalog Number:
AG001821
Chemical Name:
Butanoic acid, 3-(benzoyloxy)-4-cyano-, (S)- (9CI)
CAS Number:
138145-61-6
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
(3S)-3-benzoyloxy-4-cyanobutanoic acid
InChI:
InChI=1S/C12H11NO4/c13-7-6-10(8-11(14)15)17-12(16)9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,14,15)/t10-/m0/s1
InChI Key:
GKWZKZVNTLJRFP-JTQLQIEISA-N
SMILES:
N#CC[C@H](OC(=O)c1ccccc1)CC(=O)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.