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Home > Other Heterocycles > 77697-45-1
77697-45-1 | Bicyclo[3.1.1]hept-3-en-2-ol
CAS No: 77697-45-1 Catalog No: AG0058LS MDL No:
Product Description
Catalog Number:
AG0058LS
Chemical Name:
Bicyclo[3.1.1]hept-3-en-2-ol
CAS Number:
77697-45-1
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
bicyclo[3.1.1]hept-3-en-2-ol
InChI:
InChI=1S/C7H10O/c8-7-2-1-5-3-6(7)4-5/h1-2,5-8H,3-4H2
InChI Key:
PNOQCFFXXDNXKF-UHFFFAOYSA-N
SMILES:
OC1C=CC2CC1C2
NSC Number:
231453
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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