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1018446-95-1 | 1H-Pyrazole-1-carboxylic acid, 4-amino-, 1,1-dimethylethyl ester
CAS No: 1018446-95-1 Catalog No: AG0005PF MDL No:MFCD20697038
Product Description
Catalog Number:
AG0005PF
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 4-amino-, 1,1-dimethylethyl ester
CAS Number:
1018446-95-1
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD20697038
IUPAC Name:
tert-butyl 4-aminopyrazole-1-carboxylate
InChI:
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,9H2,1-3H3
InChI Key:
FIBAJOZIOKKYHC-UHFFFAOYSA-N
SMILES:
O=C(n1ncc(c1)N)OC(C)(C)C
Properties
Complexity:
200
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:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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