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73638-16-1 | 3,6-Methanobenzofuran-3(2H)-carbonitrile, hexahydro-
CAS No: 73638-16-1 Catalog No: AG005MGZ MDL No:
Product Description
Catalog Number:
AG005MGZ
Chemical Name:
3,6-Methanobenzofuran-3(2H)-carbonitrile, hexahydro-
CAS Number:
73638-16-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
4-oxatricyclo[4.3.1.03,7]decane-6-carbonitrile
InChI:
InChI=1S/C10H13NO/c11-5-10-4-7-1-2-8(10)9(3-7)12-6-10/h7-9H,1-4,6H2
InChI Key:
QVQQHWKLCHOFKU-UHFFFAOYSA-N
SMILES:
N#CC12COC3C2CCC(C1)C3
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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