Home Other Building Blocks 3-(1H-1,2,3-benzotriazol-5-ylformamido)propanoic acid

3-(1H-1,2,3-benzotriazol-5-ylformamido)propanoic acid

CAS No.:
1099152-06-3
Catalog Number:
AG019ZJM
Molecular Formula:
C10H10N4O3
Molecular Weight:
234.2114
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Product Description
Catalog Number:
AG019ZJM
Chemical Name:
3-(1H-1,2,3-benzotriazol-5-ylformamido)propanoic acid
CAS Number:
1099152-06-3
Molecular Formula:
C10H10N4O3
Molecular Weight:
234.2114
MDL Number:
MFCD11648479
IUPAC Name:
3-(2H-benzotriazole-5-carbonylamino)propanoic acid
InChI:
InChI=1S/C10H10N4O3/c15-9(16)3-4-11-10(17)6-1-2-7-8(5-6)13-14-12-7/h1-2,5H,3-4H2,(H,11,17)(H,15,16)(H,12,13,14)
InChI Key:
ATRCYWSADFBGIA-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=O)c1ccc2c(c1)nn[nH]2
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
234.215g/mol
Monoisotopic Mass:
234.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties