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Home > Other Heterocycles > 1935376-90-1
1935376-90-1 | 3-{bicyclo[2.2.1]heptan-2-yl}-3-methyloxirane-2-carbonitrile
CAS No: 1935376-90-1 Catalog No: AG01C6Y3 MDL No:MFCD31432620
Product Description
Catalog Number:
AG01C6Y3
Chemical Name:
3-{bicyclo[2.2.1]heptan-2-yl}-3-methyloxirane-2-carbonitrile
CAS Number:
1935376-90-1
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD31432620
IUPAC Name:
3-(2-bicyclo[2.2.1]heptanyl)-3-methyloxirane-2-carbonitrile
InChI:
InChI=1S/C11H15NO/c1-11(10(6-12)13-11)9-5-7-2-3-8(9)4-7/h7-10H,2-5H2,1H3
InChI Key:
OSEMNKAEHPGWOG-UHFFFAOYSA-N
SMILES:
N#CC1OC1(C)C1CC2CC1CC2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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