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Home > Other Heterocycles > 135040-95-8
135040-95-8 | Bicyclo[3.1.0]hexan-2-one, 1-ethynyl-, (1S)-
CAS No: 135040-95-8 Catalog No: AG006ZJV MDL No:
Product Description
Catalog Number:
AG006ZJV
Chemical Name:
Bicyclo[3.1.0]hexan-2-one, 1-ethynyl-, (1S)-
CAS Number:
135040-95-8
Molecular Formula:
C8H8O
Molecular Weight:
120.1485
IUPAC Name:
1-ethynylbicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C8H8O/c1-2-8-5-6(8)3-4-7(8)9/h1,6H,3-5H2
InChI Key:
WBUDMQMEVZKYHS-UHFFFAOYSA-N
SMILES:
C#C[C@@]12CC2CCC1=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.151g/mol
Monoisotopic Mass:
120.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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