SP-8008

CAT: 0926-NID24761-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NID24761-01Size:50 mg

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

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CAS Number

2088247-61-2

Smiles

C1CN2CCC1C (C2) N3C=C (N=N3) C4=CC=C (C=C4) C5=CC=CC=C5

Molecular Formula

C21H22N4

Molecular Weight

330.4 g/mol

Controlled

Chemical Information

2-Ethyl-4-oxo-4H-pyran-3-yl 4-hydroxy-3-methoxybenzoate

CAS Number	2088247-61-2
PubChem CID	126679373
IUPAC Name	(2-ethyl-4-oxopyran-3-yl) 4-hydroxy-3-methoxybenzoate
Molecular Formula	C15H14O6
Molecular Weight	290.27
XLogP	2.2
Topological Polar Surface Area	82.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	479

SMILES

CCC1=C(C(=O)C=CO1)OC(=O)C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C15H14O6/c1-3-12-14(11(17)6-7-20-12)21-15(18)9-4-5-10(16)13(8-9)19-2/h4-8,16H,3H2,1-2H3

InChIKey

NHGPHSDMEIUFCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2088247-61-2

CID: 126679373

Formula: C15H14O6

MW: 290.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.27
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	290.07903816
Monoisotopic Mass	290.07903816
Topological Polar Surface Area	82.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	479
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
HY-138019	SP-8008
LBST-066FG	Clostridium acetobutylicum; 8008
481927	GM8008 (Predicted Gene 8008)
PA1347-M	SP-A
MBS3800915-01	Human SP-Selectin (SP-SEL) (SP-Selectin) ELISA Kit
MBS324225-01	Aspergillus sp.
Oneq-M407-01	Mycoplasma sp.
HY-137622	Sp-cGMPS
T209738-01	DHX-SP
T88902-01	Sp-cCMPS