5-Phenoxypyrimidin-2-ol

CAT: 0926-RBA96398-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RBA96398-01Size:50 mg

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CAS Number

41963-98-8

MDL Number

MFCD31616114

Smiles

C1=CC=C (C=C1) OC2=CNC (=O) N=C2

Molecular Formula

C10H8N2O2

Molecular Weight

188.18 g/mol

Controlled

Chemical Information

2(1H)-Pyrimidinone, 5-phenoxy-

CAS Number	41963-98-8
PubChem CID	12661820
IUPAC Name	5-phenoxy-1H-pyrimidin-2-one
Molecular Formula	C10H8N2O2
Molecular Weight	188.18
XLogP	1
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	278

SMILES

C1=CC=C(C=C1)OC2=CNC(=O)N=C2

InChI

InChI=1S/C10H8N2O2/c13-10-11-6-9(7-12-10)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)

InChIKey

JRSOGQHYZMXAQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41963-98-8

CID: 12661820

Formula: C10H8N2O2

MW: 188.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.18
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	188.058577502
Monoisotopic Mass	188.058577502
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	278
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

Catalog	Name
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