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

methyl 2-(4-formyl-1H-1,2,3-triazol-1-yl)acetate

CAS No.:
853806-03-8
Catalog Number:
AG01AP4N
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
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Product Description
Catalog Number:
AG01AP4N
Chemical Name:
methyl 2-(4-formyl-1H-1,2,3-triazol-1-yl)acetate
CAS Number:
853806-03-8
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
MDL Number:
MFCD27930018
IUPAC Name:
methyl 2-(4-formyltriazol-1-yl)acetate
InChI:
InChI=1S/C6H7N3O3/c1-12-6(11)3-9-2-5(4-10)7-8-9/h2,4H,3H2,1H3
InChI Key:
GKKHYYZLQGIYMI-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cc(nn1)C=O
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties