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68027-81-6 | Violaceol I
CAS No: 68027-81-6 Catalog No: AG006GED MDL No:
Product Description
Catalog Number:
AG006GED
Chemical Name:
Violaceol I
CAS Number:
68027-81-6
Molecular Formula:
C14H14O5
Molecular Weight:
262.2580
IUPAC Name:
3-(2,3-dihydroxy-5-methylphenoxy)-5-methylbenzene-1,2-diol
InChI:
InChI=1S/C14H14O5/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,15-18H,1-2H3
InChI Key:
YRZXKRQRZJMBFT-UHFFFAOYSA-N
SMILES:
Cc1cc(Oc2cc(C)cc(c2O)O)c(c(c1)O)O
NSC Number:
330927
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.261g/mol
Monoisotopic Mass:
262.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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