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L-Hydantoin-5-propionic Acid

CAT: 0572-TRC-H675005-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H675005-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17027-50-8
Synonyms
L-Hydantoin-5-propionic acid; Carglumic Acid Related Compound A;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C(CC(=O)O)C1C(=O)NC(=O)N1
Molecular Formula
C6H8N2O4
Molecular Weight
172.14
InChI
InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1
Additionnal Information
IUPAC name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CAS Number17027-50-8
PubChem CID715854
IUPAC Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid
Molecular FormulaC6H8N2O4
Molecular Weight172.14
XLogP-1.2
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity238
SMILES
C(CC(=O)O)[C@H]1C(=O)NC(=O)N1
InChI
InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1
InChIKey
VWFWNXQAMGDPGG-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CAS: 17027-50-8
CID: 715854
Formula: C6H8N2O4
MW: 172.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.14
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass172.04840674
Monoisotopic Mass172.04840674
Topological Polar Surface Area95.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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