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70421-89-5 | HYDROXY(HYDROXYDIMETHYLPHENYL)DIMETHYLBENZENE
CAS No: 70421-89-5 Catalog No: AG005IYH MDL No:
Product Description
Catalog Number:
AG005IYH
Chemical Name:
HYDROXY(HYDROXYDIMETHYLPHENYL)DIMETHYLBENZENE
CAS Number:
70421-89-5
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
2-(4-hydroxy-2,3-dimethylphenyl)-3,4-dimethylphenol
InChI:
InChI=1S/C16H18O2/c1-9-5-7-15(18)16(10(9)2)13-6-8-14(17)12(4)11(13)3/h5-8,17-18H,1-4H3
InChI Key:
FZDQPIYWUWFLMF-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1C)C)c1c(O)ccc(c1C)C
EC Number:
274-600-8
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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