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83858-00-8 | Carbamic acid, dimethyl-, 1-(1-methylethyl)-1H-pyrazol-4-yl ester
CAS No: 83858-00-8 Catalog No: AG004RUY MDL No:
Product Description
Catalog Number:
AG004RUY
Chemical Name:
Carbamic acid, dimethyl-, 1-(1-methylethyl)-1H-pyrazol-4-yl ester
CAS Number:
83858-00-8
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
IUPAC Name:
(1-propan-2-ylpyrazol-4-yl) N,N-dimethylcarbamate
InChI:
InChI=1S/C9H15N3O2/c1-7(2)12-6-8(5-10-12)14-9(13)11(3)4/h5-7H,1-4H3
InChI Key:
UTNYQIMXRYFXLE-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Oc1cnn(c1)C(C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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