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5- (3'-HYDROXYBENZYL) HYDANTOIN

CAT: 1596-AR-L02182-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L02182-01Size:10 Units
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CAS Number
216956-20-6
Synonyms
5-[ (3-Hydroxyphenyl) methyl]-2,4-imidazolidinedione
Molecular Formula
C10H10N2O3
Molecular Weight
206.2
API Name
Levodopa

Chemical Information

5-(3'-Hydroxybenzyl)hydantoin
CAS Number216956-20-6
PubChem CID3364536
IUPAC Name5-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
Molecular FormulaC10H10N2O3
Molecular Weight206.20
XLogP0.2
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity280
SMILES
C1=CC(=CC(=C1)O)CC2C(=O)NC(=O)N2
InChI
InChI=1S/C10H10N2O3/c13-7-3-1-2-6(4-7)5-8-9(14)12-10(15)11-8/h1-4,8,13H,5H2,(H2,11,12,14,15)
InChIKey
SIDWPXBEWSODDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3'-Hydroxybenzyl)hydantoin
CAS: 216956-20-6
CID: 3364536
Formula: C10H10N2O3
MW: 206.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.20
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass206.06914219
Monoisotopic Mass206.06914219
Topological Polar Surface Area78.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes