Fluorouracil Impurity 51

CAT: 1299-RM-F122151-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F122151-01Size:10 mg

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CAS Number

37107-81-6

Synonyms

5-vinylpyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C6H6N2O2

Molecular Weight

138.13

Target Alternative Name

Fluorouracil

Chemical Information

5-Vinyluracil

RN given refers to unlabeled parent cpd

CAS Number	37107-81-6
PubChem CID	99305
IUPAC Name	5-ethenyl-1H-pyrimidine-2,4-dione
Molecular Formula	C6H6N2O2
Molecular Weight	138.12
XLogP	-0.2
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	230

SMILES

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

InChI

InChI=1S/C6H6N2O2/c1-2-4-3-7-6(10)8-5(4)9/h2-3H,1H2,(H2,7,8,9,10)

InChIKey

ZRYZBEQILKESAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37107-81-6

CID: 99305

Formula: C6H6N2O2

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	138.042927438
Monoisotopic Mass	138.042927438
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	230
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