2-Coumaranone-1-L

CAT: 0926-MAD05734-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-MAD05734-01Size:10 mg

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

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CAS Number

1887057-34-2

Smiles

CC1=CC (=C (C (=C1) C) OC (=O) NC2C3=C (C=CC (=C3) F) OC2=O) C

Molecular Formula

C18H16FNO4

Molecular Weight

329.3 g/mol

Controlled

Chemical Information

2-Coumaranone-1-L

CAS Number	1887057-34-2
PubChem CID	156589009
IUPAC Name	(2,4,6-trimethylphenyl) N-(5-fluoro-2-oxo-3H-1-benzofuran-3-yl)carbamate
Molecular Formula	C18H16FNO4
Molecular Weight	329.3
XLogP	3.9
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	487

SMILES

CC1=CC(=C(C(=C1)C)OC(=O)NC2C3=C(C=CC(=C3)F)OC2=O)C

InChI

InChI=1S/C18H16FNO4/c1-9-6-10(2)16(11(3)7-9)24-18(22)20-15-13-8-12(19)4-5-14(13)23-17(15)21/h4-8,15H,1-3H3,(H,20,22)

InChIKey

UDZLQXRQHSAQKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1887057-34-2

CID: 156589009

Formula: C18H16FNO4

MW: 329.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.3
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	329.10633615
Monoisotopic Mass	329.10633615
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR175325-01	1,2-a-1,2-a-L-Rhamnotriose
FO99546-01	N2- (1-Oxohexadecyl) -L-lysyl-L-valyl-L-lysine 2,2,2-trifluoroacetate (1:2)
FT92987-01	N- (2,2,2-Trifluoroacetyl) -L-valyl-L-tyrosyl-L-valine
MI01012-01	1,2-O-Isopropylidene-a-L-xylofuranose
ND58417-01	1- (2'-Deoxy-2'-fluoro-a-L-arabinofuranosyl) -thymine
FA50698-01	L-2-Aminomethylphenylalanine
FA61400-01	L-2-Aminobutanamide
FD41792-01	(1R,2R) - (+) -1,2-Diaminocyclohexane L-tartrate
MI29298-01	1,2-O-Isopropylidene-b-L-lyxofuranose
FT11304-01	6- (L-1,2,3-Trihydroxybutyl) -pterin

Catalog	Name
T208691-01	2-Coumaranone-1-L
C2420-01	2-COUMARANONE
sc-265672	2-Ethoxycarbonyl-3-coumaranone
HY-W001165-01	3-Coumaranone
sc-223532	3-Bromo-2-coumaranone
sc-233595	6-Hydroxy-3-coumaranone
114705-01	6-Hydroxy-3-Coumaranone 97.0%
HY-177318	αLβ2 integrin-IN-1
sc-33716	FAS-L (2.1)
HY-N0229S19	L-Alanine-1,2-13C2-1