Veratric Acid-d6

CAT: 0572-TRC-V127562-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-V127562-100MGSize:100 mg

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CAS Number

1162658-12-9

Synonyms

3,4-Dimethoxybenzoic Acid-d6; Dimethylprotocatechuic Acid-d6; NSC 7721-d6;

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

[2H]C([2H])([2H])OC1=C(OC([2H])([2H])[2H])C=CC(C(O)=O)=C1

Molecular Formula

C9H4D6O4

Molecular Weight

188.21

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Veratric Acid-d6

CAS Number	1162658-12-9
PubChem CID	57792130
IUPAC Name	3,4-bis(trideuteriomethoxy)benzoic acid
Molecular Formula	C9H10O4
Molecular Weight	188.21
XLogP	1.6
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	180

SMILES

[2H]C([2H])([2H])OC1=C(C=C(C=C1)C(=O)O)OC([2H])([2H])[2H]

InChI

InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)/i1D3,2D3

InChIKey

DAUAQNGYDSHRET-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 1162658-12-9

CID: 57792130

Formula: C9H10O4

MW: 188.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	188.21
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	188.09556927
Monoisotopic Mass	188.09556927
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180
Isotope Atom Count	6
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

Related Products

Catalog	Name
TRC-V444490-50MG	Veratric Acid Glucuronide
TRC-V127560-10G	3,4-Dimethoxybenzoic Acid (Veratric Acid)
TRC-V127565-100MG	Veratric Acid 4-Chlorobutyl Ester
TRC-V127565-1G	Veratric Acid 4-Chlorobutyl Ester
TRC-V127560-100G	3,4-Dimethoxybenzoic Acid (Veratric Acid)
TRC-V127565-5G	Veratric Acid 4-Chlorobutyl Ester
TRC-G598001-10MG	Pentanedioic-d6 Acid
TRC-I789182-500MG	Isobutyric-d6 Acid
TRC-S920027-5MG	Syringic-d6 Acid
TRC-O550002-1MG	Olmesartan-d6 Acid

Alternative Products

Catalog	Name
HY-N2007S-01	Veratric acid-d6
C6864-100	Veratric acid
FV70947-01	Veratric acid hydrazide
HY-N2007R-01	Veratric acid (Standard)
HY-W738273-01	Veratric acid-13C
468630-01	Veratric Acid 4-Chlorobutyl Ester
261010-01	Veratric Acid (3,4-DimethoxybenzoicAcid)
HY-W699526-01	Dimebutic acid-d6

Veratric Acid-d6

Chemical Information

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