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Home > Other Heterocycles > 140220-61-7
140220-61-7 | 2-Oxabicyclo[2.2.1]heptan-7-ol, 3-methoxy-1,4-dimethyl-
CAS No: 140220-61-7 Catalog No: AG001C5E MDL No:
Product Description
Catalog Number:
AG001C5E
Chemical Name:
2-Oxabicyclo[2.2.1]heptan-7-ol, 3-methoxy-1,4-dimethyl-
CAS Number:
140220-61-7
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
3-methoxy-1,4-dimethyl-2-oxabicyclo[2.2.1]heptan-7-ol
InChI:
InChI=1S/C9H16O3/c1-8-4-5-9(2,6(8)10)12-7(8)11-3/h6-7,10H,4-5H2,1-3H3
InChI Key:
JNRWZASQDZPGHE-UHFFFAOYSA-N
SMILES:
COC1OC2(C(C1(C)CC2)O)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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