DBB-0920

CAT: 0013-GTR19194818-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19194818-02Size:500 mg

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

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Description

DBB-0920

CAS Number

4440-92-0

Smiles

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

Molecular Formula

C22H26O6

Molecular Weight

386.44

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

1,4-Bis(3,4-dimethoxyphenyl)-2,3-dimethyl-1,4-butanedione

CAS Number	4440-92-0
PubChem CID	13548390
IUPAC Name	1,4-bis(3,4-dimethoxyphenyl)-2,3-dimethylbutane-1,4-dione
Molecular Formula	C22H26O6
Molecular Weight	386.4
XLogP	3.9
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	28
Formal Charge	0
Complexity	475

SMILES

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

InChI

InChI=1S/C22H26O6/c1-13(21(23)15-7-9-17(25-3)19(11-15)27-5)14(2)22(24)16-8-10-18(26-4)20(12-16)28-6/h7-14H,1-6H3

InChIKey

SPBNPRXRUYBFDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4440-92-0

CID: 13548390

Formula: C22H26O6

MW: 386.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	386.4
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	386.17293854
Monoisotopic Mass	386.17293854
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	475
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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