Home Aminos 4-[2-(carbamoylamino)ethyl]benzoic acid

4-[2-(carbamoylamino)ethyl]benzoic acid

CAS No.:
1153787-68-8
Catalog Number:
AG01A3AB
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
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Product Description
Catalog Number:
AG01A3AB
Chemical Name:
4-[2-(carbamoylamino)ethyl]benzoic acid
CAS Number:
1153787-68-8
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD12113994
IUPAC Name:
4-[2-(carbamoylamino)ethyl]benzoic acid
InChI:
InChI=1S/C10H12N2O3/c11-10(15)12-6-5-7-1-3-8(4-2-7)9(13)14/h1-4H,5-6H2,(H,13,14)(H3,11,12,15)
InChI Key:
PFAPWSJUQICCDH-UHFFFAOYSA-N
SMILES:
NC(=O)NCCc1ccc(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:
4  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties