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101553-98-4 | Benzenemethanol, 4-[5-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-
CAS No: 101553-98-4 Catalog No: AG0004RU MDL No:
Product Description
Catalog Number:
AG0004RU
Chemical Name:
Benzenemethanol, 4-[5-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-
CAS Number:
101553-98-4
Molecular Formula:
C18H20O5
Molecular Weight:
316.3484
IUPAC Name:
[4-[5-(1,3-dioxan-2-yl)-2-methoxyphenoxy]phenyl]methanol
InChI:
InChI=1S/C18H20O5/c1-20-16-8-5-14(18-21-9-2-10-22-18)11-17(16)23-15-6-3-13(12-19)4-7-15/h3-8,11,18-19H,2,9-10,12H2,1H3
InChI Key:
YIJQKWJVYOKLIC-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)Oc1cc(ccc1OC)C1OCCCO1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.353g/mol
Monoisotopic Mass:
316.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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