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Home > Other Heterocycles > 942577-24-4
942577-24-4 | 2-ethynylbicyclo[2.2.1]heptane
CAS No: 942577-24-4 Catalog No: AG01DRI9 MDL No:MFCD18826822
Product Description
Catalog Number:
AG01DRI9
Chemical Name:
2-ethynylbicyclo[2.2.1]heptane
CAS Number:
942577-24-4
Molecular Formula:
C9H12
Molecular Weight:
120.1916
MDL Number:
MFCD18826822
IUPAC Name:
2-ethynylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h1,7-9H,3-6H2
InChI Key:
QCTKYLGLQSQNPD-UHFFFAOYSA-N
SMILES:
C#CC1CC2CC1CC2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.195g/mol
Monoisotopic Mass:
120.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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