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Home > Aldehydes > 129027-65-2
129027-65-2 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(1,1-dimethylethyl)- (9CI)
CAS No: 129027-65-2 Catalog No: AG00A0JT MDL No:MFCD18250433
Product Description
Catalog Number:
AG00A0JT
Chemical Name:
1H-1,2,3-Triazole-4-carboxaldehyde, 1-(1,1-dimethylethyl)- (9CI)
CAS Number:
129027-65-2
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
MDL Number:
MFCD18250433
IUPAC Name:
1-tert-butyltriazole-4-carbaldehyde
InChI:
InChI=1S/C7H11N3O/c1-7(2,3)10-4-6(5-11)8-9-10/h4-5H,1-3H3
InChI Key:
UMAJZZHMXMIDID-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)C(C)(C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.185g/mol
Monoisotopic Mass:
153.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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