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89857-72-7 | 1H-Pyrazole, 1-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]-
CAS No: 89857-72-7 Catalog No: AG003XD1 MDL No:
Product Description
Catalog Number:
AG003XD1
Chemical Name:
1H-Pyrazole, 1-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]-
CAS Number:
89857-72-7
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
1-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]pyrazole
InChI:
InChI=1S/C10H16N2O2/c1-3-10(2)13-8-9(14-10)7-12-6-4-5-11-12/h4-6,9H,3,7-8H2,1-2H3
InChI Key:
BAEDZJMAWWWRJU-UHFFFAOYSA-N
SMILES:
CCC1(C)OCC(O1)Cn1cccn1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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