3-Hydroxyanthranilic Acid-d3

CAT: 0572-TRC-H801792-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-H801792-10MGSize:10 mg

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CAS Number

1794970-56-1

Synonyms

2-Amino-4,5,6-trideuterio-3-hydroxybenzoic acid; 2-Amino-3-hydroxybenzoic-4,5,6-D3 acid; 3-Hydroxyanthranilic acid-d3

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

[2H]c1c([2H])c(O)c(N)c(C(=O)O)c1[2H]

Molecular Formula

C7 2H3 H4 N O3

Molecular Weight

156.15

InChI

InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)/i1D,2D,3D

Additionnal Information

IUPAC name: 2-amino-4,5,6-trideuterio-3-hydroxybenzoic acid

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

3-Hydroxyanthranilic Acid-d3

CAS Number	1794970-56-1
PubChem CID	71748817
IUPAC Name	2-amino-4,5,6-trideuterio-3-hydroxybenzoic acid
Molecular Formula	C7H7NO3
Molecular Weight	156.15
XLogP	0.9
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

[2H]C1=C(C(=C(C(=C1[2H])O)N)C(=O)O)[2H]

InChI

InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)/i1D,2D,3D

InChIKey

WJXSWCUQABXPFS-CBYSEHNBSA-N

Chemical Structure

2D Structure

CAS: 1794970-56-1

CID: 71748817

Formula: C7H7NO3

MW: 156.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	156.15
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	156.061423323
Monoisotopic Mass	156.061423323
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
Isotope Atom Count	3
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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HY-W001171S	3-Hydroxyanthranilic acid-d3
HY-W001171-01	3-Hydroxyanthranilic acid
OR1101397-01	3-Hydroxyanthranilic Acid Hydrochloride
HY-W001171R-01	3-Hydroxyanthranilic acid (Standard)
A22292-50	3-Hydroxyanthranilic acid 50mg
A22292-500	3-Hydroxyanthranilic acid 500mg
A22292-100	3-Hydroxyanthranilic acid 100mg
279378-01	5-Hydroxyanthranilic acid

3-Hydroxyanthranilic Acid-d3

Chemical Information

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