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Betamipron 1g

CAT: 0628-A14818-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A14818-1000Size:1000 mg
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CAS Number
3440-28-6

Chemical Information

Betamipron

Betamipron is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.

CAS Number3440-28-6
PubChem CID71651
IUPAC Name3-benzamidopropanoic acid
Molecular FormulaC10H11NO3
Molecular Weight193.20
XLogP0.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity209
SMILES
C1=CC=C(C=C1)C(=O)NCCC(=O)O
InChI
InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
InChIKey
CWXYHOHYCJXYFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Betamipron
CAS: 3440-28-6
CID: 71651
Formula: C10H11NO3
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass193.07389321
Monoisotopic Mass193.07389321
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity209
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