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1465204-73-2 | "1-(cyclobutylmethyl)-1H-1,2,3-triazole-4-carboxylic acid"
CAS No: 1465204-73-2 Catalog No: AG01FN5S MDL No:MFCD21241255
Product Description
Catalog Number:
AG01FN5S
Chemical Name:
"1-(cyclobutylmethyl)-1H-1,2,3-triazole-4-carboxylic acid"
CAS Number:
1465204-73-2
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD21241255
IUPAC Name:
1-(cyclobutylmethyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C8H11N3O2/c12-8(13)7-5-11(10-9-7)4-6-2-1-3-6/h5-6H,1-4H2,(H,12,13)
InChI Key:
DCVWMMMKFZVEDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)CC1CCC1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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