200,000+ products from a single source!
sales@angenechem.com
13098-93-6 | Propanoic acid, (4-methylphenyl)methyl ester
CAS No: 13098-93-6 Catalog No: AG000V7W MDL No:
Product Description
Catalog Number:
AG000V7W
Chemical Name:
Propanoic acid, (4-methylphenyl)methyl ester
CAS Number:
13098-93-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
(4-methylphenyl)methanol;propanoic acid
InChI:
InChI=1S/C8H10O.C3H6O2/c1-7-2-4-8(6-9)5-3-7;1-2-3(4)5/h2-5,9H,6H2,1H3;2H2,1H3,(H,4,5)
InChI Key:
UNGRMDDTVCGNJM-UHFFFAOYSA-N
SMILES:
CCC(=O)OCc1ccc(cc1)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.