200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89078-29-5
89078-29-5 | Carbamic acid, (3,5-dimethoxyphenyl)-, 2-propynyl ester
CAS No: 89078-29-5 Catalog No: AG004070 MDL No:
Product Description
Catalog Number:
AG004070
Chemical Name:
Carbamic acid, (3,5-dimethoxyphenyl)-, 2-propynyl ester
CAS Number:
89078-29-5
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
prop-2-ynyl N-(3,5-dimethoxyphenyl)carbamate
InChI:
InChI=1S/C12H13NO4/c1-4-5-17-12(14)13-9-6-10(15-2)8-11(7-9)16-3/h1,6-8H,5H2,2-3H3,(H,13,14)
InChI Key:
FVYSURGGRAVZBJ-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)OCC#C)cc(c1)OC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.