Home Other Building Blocks 3-acetamido-3-(2-ethoxyphenyl)propanoic acid

3-acetamido-3-(2-ethoxyphenyl)propanoic acid

CAS No.:
1225494-93-8
Catalog Number:
AG01AAHS
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
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Product Description
Catalog Number:
AG01AAHS
Chemical Name:
3-acetamido-3-(2-ethoxyphenyl)propanoic acid
CAS Number:
1225494-93-8
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD16327517
IUPAC Name:
3-acetamido-3-(2-ethoxyphenyl)propanoic acid
InChI:
InChI=1S/C13H17NO4/c1-3-18-12-7-5-4-6-10(12)11(8-13(16)17)14-9(2)15/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
IGSHTXCLTXQOEC-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1C(NC(=O)C)CC(=O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties