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163009-96-9 | Phenol, 4-[4-[(3-methyl-3-oxetanyl)methoxy]butoxy]-
CAS No: 163009-96-9 Catalog No: AG001TML MDL No:
Product Description
Catalog Number:
AG001TML
Chemical Name:
Phenol, 4-[4-[(3-methyl-3-oxetanyl)methoxy]butoxy]-
CAS Number:
163009-96-9
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenol
InChI:
InChI=1S/C15H22O4/c1-15(11-18-12-15)10-17-8-2-3-9-19-14-6-4-13(16)5-7-14/h4-7,16H,2-3,8-12H2,1H3
InChI Key:
AXKLNTLWKGWOEE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)OCCCCOCC1(C)COC1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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