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88909-18-6 | 1,3-Pentanediol, 5-(5-methyl-2-furanyl)-, (S)-
CAS No: 88909-18-6 Catalog No: AG0048W5 MDL No:
Product Description
Catalog Number:
AG0048W5
Chemical Name:
1,3-Pentanediol, 5-(5-methyl-2-furanyl)-, (S)-
CAS Number:
88909-18-6
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
5-(5-methylfuran-2-yl)pentane-1,3-diol
InChI:
InChI=1S/C10H16O3/c1-8-2-4-10(13-8)5-3-9(12)6-7-11/h2,4,9,11-12H,3,5-7H2,1H3
InChI Key:
XQGRDQGYQNLHAM-UHFFFAOYSA-N
SMILES:
OCC[C@H](CCc1ccc(o1)C)O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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