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116307-87-0 | 1H-Pyrazole, 1-(ethoxymethyl)-
CAS No: 116307-87-0 Catalog No: AG000C55 MDL No:
Product Description
Catalog Number:
AG000C55
Chemical Name:
1H-Pyrazole, 1-(ethoxymethyl)-
CAS Number:
116307-87-0
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
1-(ethoxymethyl)pyrazole
InChI:
InChI=1S/C6H10N2O/c1-2-9-6-8-5-3-4-7-8/h3-5H,2,6H2,1H3
InChI Key:
BCLCTNFGMGONNN-UHFFFAOYSA-N
SMILES:
CCOCn1cccn1
Properties
Complexity:
77.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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