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Home > Other Heterocycles > 77023-02-0
77023-02-0 | 7-Oxabicyclo[4.1.0]hept-3-ene-1-methanol
CAS No: 77023-02-0 Catalog No: AG005RCQ MDL No:
Product Description
Catalog Number:
AG005RCQ
Chemical Name:
7-Oxabicyclo[4.1.0]hept-3-ene-1-methanol
CAS Number:
77023-02-0
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
7-oxabicyclo[4.1.0]hept-3-en-1-ylmethanol
InChI:
InChI=1S/C7H10O2/c8-5-7-4-2-1-3-6(7)9-7/h1-2,6,8H,3-5H2
InChI Key:
ZBBHXNGZHKUXSV-UHFFFAOYSA-N
SMILES:
OCC12CC=CCC2O1
Properties
Complexity:
153
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:
32.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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