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86021-78-5 | 2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(phenylthio)methyl]-
CAS No: 86021-78-5 Catalog No: AG004Q1Z MDL No:
Product Description
Catalog Number:
AG004Q1Z
Chemical Name:
2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(phenylthio)methyl]-
CAS Number:
86021-78-5
Molecular Formula:
C14H18O3S
Molecular Weight:
266.3559
IUPAC Name:
4-(phenylsulfanylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
InChI:
InChI=1S/C14H18O3S/c15-12-7-13-10(6-14(16)17-13)11(12)8-18-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2
InChI Key:
MHSUZHGAMHPDIK-UHFFFAOYSA-N
SMILES:
OC1OC2C(C1)C(C(C2)O)CSc1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.355g/mol
Monoisotopic Mass:
266.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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