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Home > Other Heterocycles > 113737-42-1
113737-42-1 | Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-2-(2-propyn-1-yloxy)-
CAS No: 113737-42-1 Catalog No: AG0009HO MDL No:
Product Description
Catalog Number:
AG0009HO
Chemical Name:
Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-2-(2-propyn-1-yloxy)-
CAS Number:
113737-42-1
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
1,7,7-trimethyl-2-prop-2-ynoxybicyclo[2.2.1]heptane
InChI:
InChI=1S/C13H20O/c1-5-8-14-11-9-10-6-7-13(11,4)12(10,2)3/h1,10-11H,6-9H2,2-4H3
InChI Key:
YLTFLHROYCEOSJ-UHFFFAOYSA-N
SMILES:
C#CCOC1CC2C(C1(C)CC2)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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