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Salvianolic Acid M

CAT: 0572-TRC-S100875-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S100875-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
914462-77-4
Hazard Statement
No Data Available
Smiles
COc1ccc(C=C2C(C(OC2=O)C(=O)O)c3ccc(O)c(O)c3)cc1O
Molecular Formula
C19 H16 O8
Molecular Weight
372.325
InChI
InChI=1S/C19H16O8/c1-26-15-5-2-9(7-14(15)22)6-11-16(17(18(23)24)27-19(11)25)10-3-4-12(20)13(21)8-10/h2-8,16-17,20-22H,1H3,(H,23,24)
Additionnal Information
IUPAC name: 3-(3,4-dihydroxyphenyl)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-5-oxooxolane-2-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Salvianolic Acid M
CAS Number914462-77-4
PubChem CID169446255
IUPAC Name3-(3,4-dihydroxyphenyl)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-5-oxooxolane-2-carboxylic acid
Molecular FormulaC19H16O8
Molecular Weight372.3
XLogP2.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity603
SMILES
COC1=C(C=C(C=C1)C=C2C(C(OC2=O)C(=O)O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C19H16O8/c1-26-15-5-2-9(7-14(15)22)6-11-16(17(18(23)24)27-19(11)25)10-3-4-12(20)13(21)8-10/h2-8,16-17,20-22H,1H3,(H,23,24)
InChIKey
TUHODGIPFMDZNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salvianolic Acid M
CAS: 914462-77-4
CID: 169446255
Formula: C19H16O8
MW: 372.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass372.08451746
Monoisotopic Mass372.08451746
Topological Polar Surface Area134 Ų
Heavy Atom Count27
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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