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141602-77-9 | Cyclopenta[c]pyran-3-ol, 1,3,4,4a,7,7a-hexahydro-7-(phenoxymethyl)-
CAS No: 141602-77-9 Catalog No: AG001GO2 MDL No:
Product Description
Catalog Number:
AG001GO2
Chemical Name:
Cyclopenta[c]pyran-3-ol, 1,3,4,4a,7,7a-hexahydro-7-(phenoxymethyl)-
CAS Number:
141602-77-9
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
7-(phenoxymethyl)-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyran-3-ol
InChI:
InChI=1S/C15H18O3/c16-15-8-11-6-7-12(14(11)10-18-15)9-17-13-4-2-1-3-5-13/h1-7,11-12,14-16H,8-10H2
InChI Key:
HJZBFTCFLXIJJK-UHFFFAOYSA-N
SMILES:
OC1OCC2C(C1)C=CC2COc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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