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113682-14-7 | Furo[3,4-d]isoxazole-3-carbonitrile, 3a,4,6,6a-tetrahydro-
CAS No: 113682-14-7 Catalog No: AG0009B6 MDL No:
Product Description
Catalog Number:
AG0009B6
Chemical Name:
Furo[3,4-d]isoxazole-3-carbonitrile, 3a,4,6,6a-tetrahydro-
CAS Number:
113682-14-7
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole-3-carbonitrile
InChI:
InChI=1S/C6H6N2O2/c7-1-5-4-2-9-3-6(4)10-8-5/h4,6H,2-3H2
InChI Key:
PCEWOEVPEQNYTI-UHFFFAOYSA-N
SMILES:
C1OCC2C1C(=NO2)C#N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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