Home Other Building Blocks 4-(3-Ethylureido)benzoic acid

4-(3-Ethylureido)benzoic acid

CAS No.:
23754-41-8
Catalog Number:
AG007NG1
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
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Product Description
Catalog Number:
AG007NG1
Chemical Name:
4-(3-Ethylureido)benzoic acid
CAS Number:
23754-41-8
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD00020337
IUPAC Name:
4-(ethylcarbamoylamino)benzoic acid
InChI:
InChI=1S/C10H12N2O3/c1-2-11-10(15)12-8-5-3-7(4-6-8)9(13)14/h3-6H,2H2,1H3,(H,13,14)(H2,11,12,15)
InChI Key:
ZNDANSYLTARWDU-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties