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Pterin-6-carboxylic acid

CAT: 0286-P28820-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0286-P28820-01Size:25 mg
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CAS Number
948-60-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00010594
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Non-regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Pterin-6-Carboxylic Acid

2-Amino-4-hydroxy-6-pteridinecarboxylic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid. It is a conjugate acid of a 2-amino-4-oxo-6-pteridinecarboxylate(1-).

CAS Number948-60-7
PubChem CID135403803
IUPAC Name2-amino-4-oxo-3H-pteridine-6-carboxylic acid
Molecular FormulaC7H5N5O3
Molecular Weight207.15
XLogP-1.5
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity342
SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)C(=O)O
InChI
InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
InChIKey
QABAUCFGPWONOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pterin-6-Carboxylic Acid
CAS: 948-60-7
CID: 135403803
Formula: C7H5N5O3
MW: 207.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.15
XLogP3-1.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass207.03923904
Monoisotopic Mass207.03923904
Topological Polar Surface Area131 Ų
Heavy Atom Count15
Formal Charge0
Complexity342
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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