200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1260839-05-1
1260839-05-1 | Pentanoic acid, 4-methyl-, 4-formylphenyl ester
CAS No: 1260839-05-1 Catalog No: AG000RER MDL No:
Product Description
Catalog Number:
AG000RER
Chemical Name:
Pentanoic acid, 4-methyl-, 4-formylphenyl ester
CAS Number:
1260839-05-1
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
(4-formylphenyl) 4-methylpentanoate
InChI:
InChI=1S/C13H16O3/c1-10(2)3-8-13(15)16-12-6-4-11(9-14)5-7-12/h4-7,9-10H,3,8H2,1-2H3
InChI Key:
GRSVCKSGHBZAIK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(=O)CCC(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.