200,000+ products from a single source!
sales@angenechem.com
458-45-7 | 3-(3-Fluorophenyl)propionic acid
CAS No: 458-45-7 Catalog No: AG003BA4 MDL No:MFCD01310821
Product Description
Catalog Number:
AG003BA4
Chemical Name:
3-(3-Fluorophenyl)propionic acid
CAS Number:
458-45-7
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD01310821
IUPAC Name:
3-(3-fluorophenyl)propanoic acid
InChI:
InChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
UBLMRADOKLXLCD-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.