Home Other Building Blocks 2-(4-formyl-1H-1,2,3-triazol-1-yl)acetic acid

2-(4-formyl-1H-1,2,3-triazol-1-yl)acetic acid

CAS No.:
1175146-73-2
Catalog Number:
AG01A182
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
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Product Description
Catalog Number:
AG01A182
Chemical Name:
2-(4-formyl-1H-1,2,3-triazol-1-yl)acetic acid
CAS Number:
1175146-73-2
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
IUPAC Name:
2-(4-formyltriazol-1-yl)acetic acid
InChI:
InChI=1S/C5H5N3O3/c9-3-4-1-8(7-6-4)2-5(10)11/h1,3H,2H2,(H,10,11)
InChI Key:
KSGBEEROVNQAAB-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)CC(=O)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties