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Home > Other Heterocycles > 130223-94-8
130223-94-8 | 7-Oxabicyclo[4.1.0]heptane, 1-ethynyl-2,2,6-trimethyl-
CAS No: 130223-94-8 Catalog No: AG000U5V MDL No:
Product Description
Catalog Number:
AG000U5V
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 1-ethynyl-2,2,6-trimethyl-
CAS Number:
130223-94-8
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
1-ethynyl-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C11H16O/c1-5-11-9(2,3)7-6-8-10(11,4)12-11/h1H,6-8H2,2-4H3
InChI Key:
VOOHSAWHTKOBQF-UHFFFAOYSA-N
SMILES:
C#CC12OC2(C)CCCC1(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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