4,4'-Dipyridyl

CAT: 0024-sc-226824Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226824Size:25 g

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CAS Number

123333-55-1

Chemical Information

4,4'-Bipyridine--water (1/1)

CAS Number	123333-55-1
PubChem CID	16211397
IUPAC Name	4-pyridin-4-ylpyridine;hydrate
Molecular Formula	C10H10N2O
Molecular Weight	174.20
Topological Polar Surface Area	26.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	108

SMILES

C1=CN=CC=C1C2=CC=NC=C2.O

InChI

InChI=1S/C10H8N2.H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;/h1-8H;1H2

InChIKey

JJRKHJXMBCYHSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123333-55-1

CID: 16211397

Formula: C10H10N2O

MW: 174.20

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	174.20
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	174.079312947
Monoisotopic Mass	174.079312947
Topological Polar Surface Area	26.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	108
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	2
Compound Is Canonicalized	Yes