2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)- 53761-31-2 CAS NO.53761-31-2

Min.Order: 1 Gram
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Product Details

Keywords

2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)-
53761-31-2
98%

Quick Details

ProName: 2,4(1H,3H)-Pyrimidinedione,5-(2-hydrox...
CasNo: 53761-31-2
Molecular Formula: C7H10 N2 O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)-
【Iupac name】
5-(2-hydroxypropyl)-1H-pyrimidine-2,4-dione
【CAS Registry number】
53761-31-2
【Synonyms】
5-(2-Hydroxy-2-methylethyl)uracil
NSC 173722
【Molecular Formula】
C7H10 N2 O3 (Products with the same molecular formula)
【Molecular Weight】
170.1659
【Inchi】
InChI=1/C7H10N2O3/c1-4(10)2-5-3-8-7(12)9-6(5)11/h3-4,10H,2H2,1H3,(H2,8,9,11,12)
【Canonical SMILES】
CC(CC1=CNC(=O)NC1=O)O
Chemical and Physical Properties
【Density】
1.262g/cm3
【Refractive Index】
1.512
【Computed Properties】
Molecular Weight:170.1659 [g/mol]
Molecular Formula:C7H10N2O3
XLogP3:-1
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:9
Exact Mass:170.069142
MonoIsotopic Mass:170.069142
Topological Polar Surface Area:78.4
Heavy Atom Count:12
Formal Charge:0
Complexity:247
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:9

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