Acaricidal agent-1

CAT: 0127-OR1041541-02Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1041541-02Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

123293-78-7

Purity

98%

Smiles

CCOC(/C=C/C1=CC=NC=C1)=O

Chemical Information

(E)-ethyl 3-(pyridin-4-yl)acrylate

CAS Number	123293-78-7
PubChem CID	10352231
IUPAC Name	ethyl (E)-3-pyridin-4-ylprop-2-enoate
Molecular Formula	C10H11NO2
Molecular Weight	177.20
XLogP	1.5
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	183

SMILES

CCOC(=O)/C=C/C1=CC=NC=C1

InChI

InChI=1S/C10H11NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3/b4-3+

InChIKey

ABZPCWYIRGIXJP-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 123293-78-7

CID: 10352231

Formula: C10H11NO2

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.20
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	177.078978594
Monoisotopic Mass	177.078978594
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183
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
BUP12394-01	Antiulcer Agent 1
BUP11816-01	Antitrypanosomal agent 1
BUP13694-01	Antimalarial agent 1
OR1035248-01	Anticaries agent-1
BUP12424-01	Uricosuric agent-1
BUP08463-01	Neuroprotective agent 1
BUP16227-01	Anti-TB agent 1
BUP07723-01	Anxiolytic/nonsedative agent-1
BUP05515-01	ROS-generating agent 1
BUP15293-01	GABAA receptor agent 1