SMND-309 10mg

CAT: 0628-A11576-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A11576-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1065559-56-9

Chemical Information

Smnd-309

CAS Number	1065559-56-9
PubChem CID	45138954
IUPAC Name	(E)-2-[6-[(E)-2-carboxyethenyl]-2,3-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Molecular Formula	C18H14O8
Molecular Weight	358.3
XLogP	2
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	584

SMILES

C1=CC(=C(C=C1/C=C(\C2=C(C=CC(=C2O)O)/C=C/C(=O)O)/C(=O)O)O)O

InChI

InChI=1S/C18H14O8/c19-12-4-1-9(8-14(12)21)7-11(18(25)26)16-10(3-6-15(22)23)2-5-13(20)17(16)24/h1-8,19-21,24H,(H,22,23)(H,25,26)/b6-3+,11-7+

InChIKey

OAHRXWZJURTMHG-ACIWFXKJSA-N

Chemical Structure

2D Structure

CAS: 1065559-56-9

CID: 45138954

Formula: C18H14O8

MW: 358.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.3
XLogP3	2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	358.06886740
Monoisotopic Mass	358.06886740
Topological Polar Surface Area	156 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	584
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes