Maclurin

CAT: 0127-BUP10793-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10793-02Size:10 mg

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

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CAS Number

519-34-6

Synonyms

Fustic extract, Morintannic acid, NSC 83240

Purity

=98%

Smiles

C(=O)(C1=C(O)C=C(O)C=C1O)C2=CC(O)=C(O)C=C2

Storage Conditions

Store at 2-8°C

Chemical Information

Maclurin

Maclurin is a member of benzophenones.

CAS Number	519-34-6
PubChem CID	68213
IUPAC Name	(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Molecular Formula	C13H10O6
Molecular Weight	262.21
XLogP	2
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	321

SMILES

C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O

InChI

InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H

InChIKey

XNWPXDGRBWJIES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 519-34-6

CID: 68213

Formula: C13H10O6

MW: 262.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.21
XLogP3	2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	262.04773803
Monoisotopic Mass	262.04773803
Topological Polar Surface Area	118 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19172477-01	Maclurin