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Methyl 3-Hydroxyanthranilate

CAT: 0572-TRC-M316850-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M316850-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17672-21-8
Synonyms
2-Amino-3-hydroxybenzoic Acid Methyl Ester; Methyl 2-Amino-3-hydroxybenzoate; 3-Hydroxyanthranilic Acid Methyl Ester; 2-Amino-3-hydroxybenzoic Acid Methyl Ester
Hazard Statement
No Data Available
Smiles
COC(=O)c1cccc(O)c1N
Molecular Formula
C8H9NO3
Molecular Weight
167.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Anthranilic acid, 3-hydroxy-, methyl ester
CAS Number17672-21-8
PubChem CID205248
IUPAC Namemethyl 2-amino-3-hydroxybenzoate
Molecular FormulaC8H9NO3
Molecular Weight167.16
XLogP1.5
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
COC(=O)C1=C(C(=CC=C1)O)N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4,10H,9H2,1H3
InChIKey
GDIJXOCHGFQHCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anthranilic acid, 3-hydroxy-, methyl ester
CAS: 17672-21-8
CID: 205248
Formula: C8H9NO3
MW: 167.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.16
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass167.058243149
Monoisotopic Mass167.058243149
Topological Polar Surface Area72.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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