200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261585-30-1
1261585-30-1 | Benzenepropanoic acid, 3-iodo-2-methyl-
CAS No: 1261585-30-1 Catalog No: AG000RUI MDL No:
Product Description
Catalog Number:
AG000RUI
Chemical Name:
Benzenepropanoic acid, 3-iodo-2-methyl-
CAS Number:
1261585-30-1
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
IUPAC Name:
3-(3-iodo-2-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H11IO2/c1-7-8(5-6-10(12)13)3-2-4-9(7)11/h2-4H,5-6H2,1H3,(H,12,13)
InChI Key:
QFTSGSLZDXVVLY-UHFFFAOYSA-N
SMILES:
Cc1c(CCC(=O)O)cccc1I
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.