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1269292-58-1 | 1H-Pyrazol-5-ol, 3-amino-1-(1,1-dimethylethyl)-
CAS No: 1269292-58-1 Catalog No: AG000TKI MDL No:MFCD20275540
Product Description
Catalog Number:
AG000TKI
Chemical Name:
1H-Pyrazol-5-ol, 3-amino-1-(1,1-dimethylethyl)-
CAS Number:
1269292-58-1
Molecular Formula:
C7H13N3O
Molecular Weight:
155.1976
MDL Number:
MFCD20275540
IUPAC Name:
5-amino-2-tert-butyl-1H-pyrazol-3-one
InChI:
InChI=1S/C7H13N3O/c1-7(2,3)10-6(11)4-5(8)9-10/h4,9H,8H2,1-3H3
InChI Key:
KPTSCERAJNBGPZ-UHFFFAOYSA-N
SMILES:
CC(n1nc(cc1O)N)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.201g/mol
Monoisotopic Mass:
155.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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