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88767-25-3 | 3-Pyrazolidinecarboxylic acid, 1,1-dimethylethyl ester
CAS No: 88767-25-3 Catalog No: AG004CZW MDL No:
Product Description
Catalog Number:
AG004CZW
Chemical Name:
3-Pyrazolidinecarboxylic acid, 1,1-dimethylethyl ester
CAS Number:
88767-25-3
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
tert-butyl pyrazolidine-3-carboxylate
InChI:
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)6-4-5-9-10-6/h6,9-10H,4-5H2,1-3H3
InChI Key:
PBBMANKGIAFOFD-UHFFFAOYSA-N
SMILES:
O=C(C1CCNN1)OC(C)(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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