USF 406B

CAT: 0931-T125653-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T125653-02Size:5 mg

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

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CAS Number

16308-82-0

Target

Others

Related Pathways

Others

Bioactivity

USF 406B is a natural product that can be used as a reference standard. The CAS number of USF 406B is 16308-82-0.

Smiles

Cc1c(C)c(C(O)=O)c(O)c(C)c1O

Molecular Formula

C10H12O4

Molecular Weight

196.202

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3,5-Dimethylorsellinic acid

3,5-dimethylorsellinic acid is a member of the class of dihydroxybenzoic acids that is o-orsellinic acid carrying two additional methyl substituents at positions 3 and 5. It has a role as an Aspergillus metabolite. It is a dihydroxybenzoic acid and a member of resorcinols. It is functionally related to an o-orsellinic acid. It is a conjugate acid of a 3,5-dimethylorsellinate.

CAS Number	16308-82-0
PubChem CID	19881764
IUPAC Name	2,4-dihydroxy-3,5,6-trimethylbenzoic acid
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	2.4
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	228

SMILES

CC1=C(C(=C(C(=C1C(=O)O)O)C)O)C

InChI

InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)

InChIKey

NZGSNQJCTOMELT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16308-82-0

CID: 19881764

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	228
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

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Alternative Products

Catalog	Name
MBS5791125	USF 406B

USF 406B

Chemical Information

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