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3-Amino-2-hydroxybenzoic acid

CAT: 0926-FA54934-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FA54934-01Size:5 g
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CAS Number
570-23-0
Synonyms
3-Aminosalicylic acid
MDL Number
MFCD00010299
Smiles
C1=CC (=C (C (=C1) N) O) C (=O) O
Molecular Formula
C7H7NO3
Molecular Weight
153.14 g/mol
Controlled
No

Chemical Information

3-Aminosalicylic acid

3-aminosalicylic acid is a hydroxybenzoic acid.

CAS Number570-23-0
PubChem CID68443
IUPAC Name3-amino-2-hydroxybenzoic acid
Molecular FormulaC7H7NO3
Molecular Weight153.14
XLogP0.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C(=C1)N)O)C(=O)O
InChI
InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChIKey
IQGMRVWUTCYCST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminosalicylic acid
CAS: 570-23-0
CID: 68443
Formula: C7H7NO3
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass153.042593085
Monoisotopic Mass153.042593085
Topological Polar Surface Area83.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
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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