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1003011-02-6 | 1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
CAS No: 1003011-02-6 Catalog No: AG0001IV MDL No:MFCD20702903
Product Description
Catalog Number:
AG0001IV
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
CAS Number:
1003011-02-6
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD20702903
IUPAC Name:
tert-butyl 5-aminopyrazole-1-carboxylate
InChI:
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-6(9)4-5-10-11/h4-5H,9H2,1-3H3
InChI Key:
QYQBAJXCDXDNJU-UHFFFAOYSA-N
SMILES:
O=C(n1nccc1N)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:
1.7
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