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140867-03-4 | 1,3-Hexanediol, 6-phenoxy-
CAS No: 140867-03-4 Catalog No: AG001CY3 MDL No:
Product Description
Catalog Number:
AG001CY3
Chemical Name:
1,3-Hexanediol, 6-phenoxy-
CAS Number:
140867-03-4
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
6-phenoxyhexane-1,3-diol
InChI:
InChI=1S/C12H18O3/c13-9-8-11(14)5-4-10-15-12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2
InChI Key:
DWKXBYAPUZNTGJ-UHFFFAOYSA-N
SMILES:
OCCC(CCCOc1ccccc1)O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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