200,000+ products from a single source!
sales@angenechem.com
20675-25-6 | Butanedioic acid, 1-[4-(acetylamino)phenyl] ester
CAS No: 20675-25-6 Catalog No: AG002IMU MDL No:
Product Description
Catalog Number:
AG002IMU
Chemical Name:
Butanedioic acid, 1-[4-(acetylamino)phenyl] ester
CAS Number:
20675-25-6
Molecular Formula:
C12H12NO5-
Molecular Weight:
250.2274
IUPAC Name:
4-(4-acetamidophenoxy)-4-oxobutanoic acid
InChI:
InChI=1S/C12H13NO5/c1-8(14)13-9-2-4-10(5-3-9)18-12(17)7-6-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)
InChI Key:
WBMMAKGUOXWWKZ-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCC(=O)Oc1ccc(cc1)NC(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.