Uracil-5-carboxaldehyde

CAT: 0127-OR4144-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR4144-01Size:250 mg

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CAS Number

1195-08-0

Synonyms

5-Formyluracil, 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaldehyde

MDL Number

MFCD00192185

Purity

97%

Smiles

O=CC1=CNC(=O)NC1=O

Chemical Information

5-Formyluracil

5-formyluracil is a pyrimidone resulting from the formal oxidation of the alcoholic hydroxy group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major one-electron photooxidation product of thymine in oligodeoxynucleotides. It has a role as a mutagen and a human metabolite. It is an aldehyde, a pyrimidone and a nucleobase analogue. It is functionally related to a 5-hydroxymethyluracil and a thymine.

CAS Number	1195-08-0
PubChem CID	304590
IUPAC Name	2,4-dioxo-1H-pyrimidine-5-carbaldehyde
Molecular Formula	C5H4N2O3
Molecular Weight	140.10
XLogP	-1
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	231

SMILES

C1=C(C(=O)NC(=O)N1)C=O

InChI

InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)

InChIKey

OHAMXGZMZZWRCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1195-08-0

CID: 304590

Formula: C5H4N2O3

MW: 140.10

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	140.10
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	140.02219199
Monoisotopic Mass	140.02219199
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
OR4145	Uracil-6-carboxaldehyde monohydrate
OR8169	5- (Benzyloxymethyl) uracil
OR5947-01	Uracil-5-carbonitrile
PC7780-01	5- (Trifluoromethyl) uracil
OR4151-01	5- (Hydroxymethyl) uracil
OR1213-01	5- (Chloromethyl) uracil
OR17071-01	Quinoxaline-5-carboxaldehyde
OR18559	Isothiazole-5-carboxaldehyde
OR7659-01	Pyrimidine-5-carboxaldehyde
OR70131-01	Quinoline-5-carboxaldehyde

Alternative Products

Catalog	Name
TRC-I615010-25G	Indole-5-carboxaldehyde
sc-280057	Quinoline-5-carboxaldehyde
sc-252927	Isoquinoline-5-carboxaldehyde
FQ64820-01	Quinoxaline-5-carboxaldehyde
286546-01	Pyrimidine-5-carboxaldehyde
sc-235355	Indazole-5-carboxaldehyde
MBS3610037-01	5-(Hydroxymethyl) uracil
sc-233186	5- (Chloromethyl) uracil
MBS5751690	5-(Hydroxymethyl)uracil
106320 1	5-Fluoro Uracil

Uracil-5-carboxaldehyde

Chemical Information

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