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114567-30-5 | 1,3-Benzenediol, 4-[(2,4-dimethyl-3-furanyl)methyl]-5-methyl-
CAS No: 114567-30-5 Catalog No: AG000EOT MDL No:
Product Description
Catalog Number:
AG000EOT
Chemical Name:
1,3-Benzenediol, 4-[(2,4-dimethyl-3-furanyl)methyl]-5-methyl-
CAS Number:
114567-30-5
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
4-[(2,4-dimethylfuran-3-yl)methyl]-5-methylbenzene-1,3-diol
InChI:
InChI=1S/C14H16O3/c1-8-4-11(15)5-14(16)13(8)6-12-9(2)7-17-10(12)3/h4-5,7,15-16H,6H2,1-3H3
InChI Key:
HUZKQMRBBHWHIW-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(c(c1)O)Cc1c(C)coc1C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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