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Phenylmethylene hydantoin [PMH]

CAT: 0498-bs-75042CSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75042CSize:1 mg
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CAS Number
80171-33-1
Conjugation
Unconjugated
Purity
>97% (HPLC)
Buffer
Solid
Solubility
Soluble in ethanol or DMSO.
Smiles
OC1=CC=C(\C=C2/NC(=O)NC2=O)C=C1
Molecular Formula
C10H8N2O3
Molecular Weight
204.2
Storage Conditions
Stable for 2 years after receipt when stored at -20°C. Store solutions at -20°C in the dark.
Appearance
Greenish solid.

Chemical Information

4-Hydroxyphenylmethylene Hydantoin

isoalted from the Red Sea sponge Hemimycale arabica; structure in first source

CAS Number80171-33-1
PubChem CID1550940
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
Molecular FormulaC10H8N2O3
Molecular Weight204.18
XLogP0.7
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity317
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)N2)O
InChI
InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15)/b8-5-
InChIKey
UPDDIBZITPTASO-YVMONPNESA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyphenylmethylene Hydantoin
CAS: 80171-33-1
CID: 1550940
Formula: C10H8N2O3
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass204.05349212
Monoisotopic Mass204.05349212
Topological Polar Surface Area78.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes