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245731-58-2 | 1,4-Benzenedimethanol, 2-[(2-ethylhexyl)oxy]-5-methoxy-
CAS No: 245731-58-2 Catalog No: AG002OMY MDL No:MFCD03427231
Product Description
Catalog Number:
AG002OMY
Chemical Name:
1,4-Benzenedimethanol, 2-[(2-ethylhexyl)oxy]-5-methoxy-
CAS Number:
245731-58-2
Molecular Formula:
C17H28O4
Molecular Weight:
296.4018
MDL Number:
MFCD03427231
IUPAC Name:
[2-(2-ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol
InChI:
InChI=1S/C17H28O4/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-9,13,18-19H,4-7,10-12H2,1-3H3
InChI Key:
PSRBIXMJUOUTQH-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cc(CO)c(cc1CO)OC)CC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.407g/mol
Monoisotopic Mass:
296.199g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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