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70342-22-2 | Benzoicacid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-3,6-dimethyl-
CAS No: 70342-22-2 Catalog No: AG005JVJ MDL No:
Product Description
Catalog Number:
AG005JVJ
Chemical Name:
Benzoicacid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-3,6-dimethyl-
CAS Number:
70342-22-2
Molecular Formula:
C18H18O7
Molecular Weight:
346.3313
IUPAC Name:
2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-3,6-dimethylbenzoic acid
InChI:
InChI=1S/C18H18O7/c1-8-5-11(24-4)7-12(19)14(8)18(23)25-13-6-9(2)15(17(21)22)16(20)10(13)3/h5-7,19-20H,1-4H3,(H,21,22)
InChI Key:
FVYOPZXVFTVTDA-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)O)C(=O)Oc1cc(C)c(c(c1C)O)C(=O)O
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.335g/mol
Monoisotopic Mass:
346.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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