Home Other Building Blocks 4-[N-(2-hydroxyethyl)prop-2-enamido]benzoic acid

4-[N-(2-hydroxyethyl)prop-2-enamido]benzoic acid

CAS No.:
1178434-06-4
Catalog Number:
AG01BBZ1
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
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Product Description
Catalog Number:
AG01BBZ1
Chemical Name:
4-[N-(2-hydroxyethyl)prop-2-enamido]benzoic acid
CAS Number:
1178434-06-4
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD12730647
IUPAC Name:
4-[2-hydroxyethyl(prop-2-enoyl)amino]benzoic acid
InChI:
InChI=1S/C12H13NO4/c1-2-11(15)13(7-8-14)10-5-3-9(4-6-10)12(16)17/h2-6,14H,1,7-8H2,(H,16,17)
InChI Key:
JAVLZGJTFZHIES-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(cc1)C(=O)O)C(=O)C=C
Properties
Complexity:
295  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties