200,000+ products from a single source!
sales@angenechem.com
833453-82-0 | Octanoic acid, 3-(phenylamino)-, (3S)-
CAS No: 833453-82-0 Catalog No: AG004X8M MDL No:
Product Description
Catalog Number:
AG004X8M
Chemical Name:
Octanoic acid, 3-(phenylamino)-, (3S)-
CAS Number:
833453-82-0
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
(3S)-3-anilinooctanoic acid
InChI:
InChI=1S/C14H21NO2/c1-2-3-5-10-13(11-14(16)17)15-12-8-6-4-7-9-12/h4,6-9,13,15H,2-3,5,10-11H2,1H3,(H,16,17)/t13-/m0/s1
InChI Key:
HNYDKUUPZUSXPM-ZDUSSCGKSA-N
SMILES:
CCCCC[C@H](Nc1ccccc1)CC(=O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.