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Home > Other Heterocycles > 6707-12-6
6707-12-6 | Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol
CAS No: 6707-12-6 Catalog No: AG003MXN MDL No:MFCD00167595
Product Description
Catalog Number:
AG003MXN
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol
CAS Number:
6707-12-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD00167595
IUPAC Name:
[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
InChI:
InChI=1S/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2
InChI Key:
DSHXMENPUICESR-UHFFFAOYSA-N
SMILES:
OCC1(CO)CC2CC1C=C2
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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