4-Pyridineacrylic acid

CAT: 1489-P1470-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-P1470-01Size:1 g

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CAS Number

5337-79-1

Purity

0.98

Chemical Information

4-Pyridineacrylic acid

RN given refers to parent cpd; structure in first source

CAS Number	5337-79-1
PubChem CID	736782
IUPAC Name	(E)-3-pyridin-4-ylprop-2-enoic acid
Molecular Formula	C8H7NO2
Molecular Weight	149.15
XLogP	0.8
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

C1=CN=CC=C1/C=C/C(=O)O

InChI

InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+

InChIKey

SSAYTINUCCRGDR-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 5337-79-1

CID: 736782

Formula: C8H7NO2

MW: 149.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.15
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	149.047678466
Monoisotopic Mass	149.047678466
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
P1430-01	4-Hydroxycinnamic acid
B7650-01	4-Biphenylboronic acid
C2900	4-Chlorobenzoic acid
P9450-01	4-Phenylbutyric Acid
C6430	4-Chlorophenylacetic Acid
H8180-01	4-Hydrazinylbenzoic acid
C2630-01	4-Chloronicotinic Acid
A9690-01	4-Aminobenzoic Acid
H8890-01	4-Hydroxybenzenesulfonic acid
H8800-01	4-Hydroxybenzoic Acid

Catalog	Name
TRC-P991285-50MG	3-Pyridineacrylic Acid
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
sc-277680	4,4,4-Trichlorobutyric acid
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
sc-262191	4,4,4-Trifluorobutyric acid
PC7292-01	4,4,4-Trifluorobutanoic acid
OR1048070-01	4,4',4''-Phosphanetriyltribenzoic acid
OR91009-01	4,4',4''-Phosphoryltribenzoic acid