Poloxin-2

CAT: 0127-BUP07887-03Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP07887-03Size:25 mg

Selected

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

Quick Request Actions

CAS Number

321695-37-8

Synonyms

Poloxin2, Poloxin 2

Purity

=98%

Smiles

N(OC(=O)C1=C(C)C=CC=C1)=C2C(C)=CC(=O)C(C)=C2

Chemical Information

Poloxin-2

CAS Number	321695-37-8
PubChem CID	44188683
IUPAC Name	[(Z)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
Molecular Formula	C16H15NO3
Molecular Weight	269.29
XLogP	3.2
Topological Polar Surface Area	55.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	514

SMILES

CC1=CC=CC=C1C(=O)O/N=C\2/C=C(C(=O)C=C2C)C

InChI

InChI=1S/C16H15NO3/c1-10-6-4-5-7-13(10)16(19)20-17-14-8-12(3)15(18)9-11(14)2/h4-9H,1-3H3/b17-14-

InChIKey

KWDBXGNIGYVOBI-VKAVYKQESA-N

Chemical Structure

2D Structure

CAS: 321695-37-8

CID: 44188683

Formula: C16H15NO3

MW: 269.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.29
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	269.10519334
Monoisotopic Mass	269.10519334
Topological Polar Surface Area	55.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	514
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
BUP10129-01	Poloxin
OR927861	Polyoxin b
BUP03267-01	Polyoxin B
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde