Home Carbonyls 2-[4-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]acetic acid

2-[4-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]acetic acid

CAS No.:
467235-14-9
Catalog Number:
AG019SVP
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019SVP
Chemical Name:
2-[4-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]acetic acid
CAS Number:
467235-14-9
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD20656759
IUPAC Name:
2-(4-methoxycarbonyltriazol-1-yl)acetic acid
InChI:
InChI=1S/C6H7N3O4/c1-13-6(12)4-2-9(8-7-4)3-5(10)11/h2H,3H2,1H3,(H,10,11)
InChI Key:
PQBFKMPNIQZTFU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1)CC(=O)O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties