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2-Morpholinobenzoic acid

CAT: 0013-GTR19252082-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252082-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Morpholinobenzoic acid
CAS Number
42106-48-9
Purity
99.88% (May vary between batches)
Smiles
OC (=O) C1=C (C=CC=C1) N1CCOCC1
Molecular Formula
C11H13NO3
Molecular Weight
207.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Morpholin-4-yl)benzoic acid
CAS Number42106-48-9
PubChem CID2776561
IUPAC Name2-morpholin-4-ylbenzoic acid
Molecular FormulaC11H13NO3
Molecular Weight207.23
XLogP1.2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity226
SMILES
C1COCCN1C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
InChIKey
XUBUJTVBAXQIKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Morpholin-4-yl)benzoic acid
CAS: 42106-48-9
CID: 2776561
Formula: C11H13NO3
MW: 207.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.23
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass207.08954328
Monoisotopic Mass207.08954328
Topological Polar Surface Area49.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity226
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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