Home Carboxys 1-(cyclopropylmethyl)-1H-1,2,3-triazole-4-carboxylic acid

1-(cyclopropylmethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1341761-69-0
Catalog Number:
AG01C1II
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
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Product Description
Catalog Number:
AG01C1II
Chemical Name:
1-(cyclopropylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1341761-69-0
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD16666448
IUPAC Name:
1-(cyclopropylmethyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C7H9N3O2/c11-7(12)6-4-10(9-8-6)3-5-1-2-5/h4-5H,1-3H2,(H,11,12)
InChI Key:
LGECTKJDPJOBJJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)CC1CC1
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties