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Home > Other Heterocycles > 99231-99-9
99231-99-9 | 2,6,7-Trioxabicyclo[2.2.2]octane, 1-methyl-4-[(phenylmethoxy)methyl]-
CAS No: 99231-99-9 Catalog No: AG005SSS MDL No:
Product Description
Catalog Number:
AG005SSS
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 1-methyl-4-[(phenylmethoxy)methyl]-
CAS Number:
99231-99-9
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
1-methyl-4-(phenylmethoxymethyl)-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C14H18O4/c1-13-16-9-14(10-17-13,11-18-13)8-15-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChI Key:
JTVLUUNQHALRBF-UHFFFAOYSA-N
SMILES:
CC12OCC(CO1)(CO2)COCc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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