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156329-62-3 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester
CAS No: 156329-62-3 Catalog No: AG001OOF MDL No:MFCD27664945
Product Description
Catalog Number:
AG001OOF
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester
CAS Number:
156329-62-3
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD27664945
IUPAC Name:
methyl 3-cyanobicyclo[1.1.1]pentane-1-carboxylate
InChI:
InChI=1S/C8H9NO2/c1-11-6(10)8-2-7(3-8,4-8)5-9/h2-4H2,1H3
InChI Key:
WHDZIHLWBZWJMI-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC(C1)(C2)C#N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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