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88558-99-0 | Carbamic acid, dimethyl-, 1-(1,1-dimethylpropyl)-1H-pyrazol-4-yl ester
CAS No: 88558-99-0 Catalog No: AG004E33 MDL No:
Product Description
Catalog Number:
AG004E33
Chemical Name:
Carbamic acid, dimethyl-, 1-(1,1-dimethylpropyl)-1H-pyrazol-4-yl ester
CAS Number:
88558-99-0
Molecular Formula:
C11H19N3O2
Molecular Weight:
225.2875
IUPAC Name:
[1-(2-methylbutan-2-yl)pyrazol-4-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C11H19N3O2/c1-6-11(2,3)14-8-9(7-12-14)16-10(15)13(4)5/h7-8H,6H2,1-5H3
InChI Key:
VRYGSYVZKWKBAU-UHFFFAOYSA-N
SMILES:
CCC(n1ncc(c1)OC(=O)N(C)C)(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.292g/mol
Monoisotopic Mass:
225.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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