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Home > Other Heterocycles > 1861347-10-5
1861347-10-5 | 3-methyl-3-{7-oxabicyclo[2.2.1]heptan-2-yl}oxirane-2-carbonitrile
CAS No: 1861347-10-5 Catalog No: AG01C6XF MDL No:MFCD31432540
Product Description
Catalog Number:
AG01C6XF
Chemical Name:
3-methyl-3-{7-oxabicyclo[2.2.1]heptan-2-yl}oxirane-2-carbonitrile
CAS Number:
1861347-10-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD31432540
IUPAC Name:
3-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)oxirane-2-carbonitrile
InChI:
InChI=1S/C10H13NO2/c1-10(9(5-11)13-10)7-4-6-2-3-8(7)12-6/h6-9H,2-4H2,1H3
InChI Key:
LZHCHDGXRDPLQA-UHFFFAOYSA-N
SMILES:
N#CC1OC1(C)C1CC2OC1CC2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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