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1267168-54-6 | 3-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)benzyl alcohol
CAS No: 1267168-54-6 Catalog No: AG01F8Z8 MDL No:
Product Description
Catalog Number:
AG01F8Z8
Chemical Name:
3-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)benzyl alcohol
CAS Number:
1267168-54-6
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methanol
InChI:
InChI=1S/C15H14O3/c16-10-11-2-1-3-12(8-11)13-4-5-14-15(9-13)18-7-6-17-14/h1-5,8-9,16H,6-7,10H2
InChI Key:
HPQMBDFQQWDUAT-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1ccc2c(c1)OCCO2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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