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854907-84-9 | Phenol, 3-methyl-4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 854907-84-9 Catalog No: AG004S4G MDL No:
Product Description
Catalog Number:
AG004S4G
Chemical Name:
Phenol, 3-methyl-4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
854907-84-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
3-methyl-4-(oxan-2-yloxy)phenol
InChI:
InChI=1S/C12H16O3/c1-9-8-10(13)5-6-11(9)15-12-4-2-3-7-14-12/h5-6,8,12-13H,2-4,7H2,1H3
InChI Key:
JXSDQAYYRMBHMU-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C)OC1CCCCO1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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