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5-O-Methylsulochrin

CAT: 0931-T124233-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T124233-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77282-69-0
Target
Others
Related Pathways
Others
Bioactivity
5-O-Methylsulochrin is a useful organic compound for research related to life sciences. The catalog number is T124233 and the CAS number is 77282-69-0.
Smiles
COC(=O)c1cc(OC)cc(OC)c1C(=O)c1c(O)cc(C)cc1O
Molecular Formula
C18H18O7
Molecular Weight
346.335
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-O-Methylsulochrin

Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate is a member of benzophenones.

CAS Number77282-69-0
PubChem CID23983701
IUPAC Namemethyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate
Molecular FormulaC18H18O7
Molecular Weight346.3
XLogP3.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity468
SMILES
CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC)O
InChI
InChI=1S/C18H18O7/c1-9-5-12(19)16(13(20)6-9)17(21)15-11(18(22)25-4)7-10(23-2)8-14(15)24-3/h5-8,19-20H,1-4H3
InChIKey
YLCJNMGKCHGJRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-O-Methylsulochrin
CAS: 77282-69-0
CID: 23983701
Formula: C18H18O7
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.3
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass346.10525291
Monoisotopic Mass346.10525291
Topological Polar Surface Area102 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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