200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 163977-61-5
163977-61-5 | 2-Propenoic acid, 3-(2-methylphenyl)-, butyl ester, (2E)-
CAS No: 163977-61-5 Catalog No: AG001UJV MDL No:
Product Description
Catalog Number:
AG001UJV
Chemical Name:
2-Propenoic acid, 3-(2-methylphenyl)-, butyl ester, (2E)-
CAS Number:
163977-61-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
butyl 3-(2-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C14H18O2/c1-3-4-11-16-14(15)10-9-13-8-6-5-7-12(13)2/h5-10H,3-4,11H2,1-2H3
InChI Key:
WJEQPBHPXGERPQ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/c1ccccc1C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.