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Home Other Building Blocks 1-ETHYL-5-PROPYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID

1-ETHYL-5-PROPYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID

CAS No.:
1267131-01-0
Catalog Number:
AG01EK7B
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
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Product Description
Catalog Number:
AG01EK7B
Chemical Name:
1-ETHYL-5-PROPYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
CAS Number:
1267131-01-0
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD16681155
IUPAC Name:
1-ethyl-5-propyltriazole-4-carboxylic acid
InChI:
InChI=1S/C8H13N3O2/c1-3-5-6-7(8(12)13)9-10-11(6)4-2/h3-5H2,1-2H3,(H,12,13)
InChI Key:
MXHHQEFJKHHCFA-UHFFFAOYSA-N
SMILES:
CCCc1n(CC)nnc1C(=O)O
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties