Amisulpride Impurity 7

CAT: 1299-RM-A131915-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A131915-02Size:25 mg

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

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CAS Number

2486-80-8

Synonyms

4-amino-2-methoxybenzoic acid

Molecular Formula

C8H9NO3

Molecular Weight

167.16

Target Alternative Name

Amisulpride

Product Name Synonym

4-amino-2-methoxybenzoic acid

Chemical Information

4-Amino-o-anisic acid

CAS Number	2486-80-8
PubChem CID	75599
IUPAC Name	4-amino-2-methoxybenzoic acid
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	0.6
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

COC1=C(C=CC(=C1)N)C(=O)O

InChI

InChI=1S/C8H9NO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)

InChIKey

OLJXRTRRJSMURJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2486-80-8

CID: 75599

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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