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Home > Other Heterocycles > 89898-05-5
89898-05-5 | 7-oxabicyclo[2.2.1]hept-2-en-6-ylmethanol
CAS No: 89898-05-5 Catalog No: AG006OVR MDL No:
Product Description
Catalog Number:
AG006OVR
Chemical Name:
7-oxabicyclo[2.2.1]hept-2-en-6-ylmethanol
CAS Number:
89898-05-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
InChI:
InChI=1S/C7H10O2/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-8H,3-4H2
InChI Key:
FUCCKJSLKAHDNQ-UHFFFAOYSA-N
SMILES:
OCC1CC2OC1C=C2
NSC Number:
100897
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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