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169215-88-7 | TRICYCLO[3.3.1.13,7]DECANE-2-CARBONITRILE, 2-ETHOXY-
CAS No: 169215-88-7 Catalog No: AG001YKT MDL No:
Product Description
Catalog Number:
AG001YKT
Chemical Name:
TRICYCLO[3.3.1.13,7]DECANE-2-CARBONITRILE, 2-ETHOXY-
CAS Number:
169215-88-7
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
2-ethoxyadamantane-2-carbonitrile
InChI:
InChI=1S/C13H19NO/c1-2-15-13(8-14)11-4-9-3-10(6-11)7-12(13)5-9/h9-12H,2-7H2,1H3
InChI Key:
QOZYEVHYSGISGD-UHFFFAOYSA-N
SMILES:
CCOC1(C#N)C2CC3CC1CC(C2)C3
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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