MAO-B-IN-8

CAT: 0607-BA8522-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8522-25Size:25 mg

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

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CAS Number

1638956-60-1

Form

A solid

Molecular Formula

C18H16O6

Molecular Weight

328.32

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(Z)-6-hydroxy-2-(2,3,4-trimethoxybenzylidene)benzofuran-3(2H)-one

CAS Number	1638956-60-1
PubChem CID	667731
IUPAC Name	(2Z)-6-hydroxy-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
Molecular Formula	C18H16O6
Molecular Weight	328.3
XLogP	3.2
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	490

SMILES

COC1=C(C(=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)OC)OC

InChI

InChI=1S/C18H16O6/c1-21-13-7-4-10(17(22-2)18(13)23-3)8-15-16(20)12-6-5-11(19)9-14(12)24-15/h4-9,19H,1-3H3/b15-8-

InChIKey

JGOPTESGPYJSBC-NVNXTCNLSA-N

Chemical Structure

2D Structure

CAS: 1638956-60-1

CID: 667731

Formula: C18H16O6

MW: 328.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.3
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	328.09468823
Monoisotopic Mass	328.09468823
Topological Polar Surface Area	74.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes