EMI56

CAT: 0926-PWD37441-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-PWD37441-01Size:25 mg

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

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CAS Number

2414374-41-5

Smiles

CCN (CC) C1=CC2=C (C=C1C) C=C (C (=O) O2) C3=NC4=CC=CC=C4O3

Molecular Formula

C21H20N2O3

Molecular Weight

348.4 g/mol

Controlled

Chemical Information

3-(1,3-Benzoxazol-2-yl)-7-(diethylamino)-6-methylchromen-2-one

CAS Number	2414374-41-5
PubChem CID	145864056
IUPAC Name	3-(1,3-benzoxazol-2-yl)-7-(diethylamino)-6-methylchromen-2-one
Molecular Formula	C21H20N2O3
Molecular Weight	348.4
XLogP	4.6
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	559

SMILES

CCN(CC)C1=CC2=C(C=C1C)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O3/c1-4-23(5-2)17-12-19-14(10-13(17)3)11-15(21(24)26-19)20-22-16-8-6-7-9-18(16)25-20/h6-12H,4-5H2,1-3H3

InChIKey

OYQNORRYAWXDHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2414374-41-5

CID: 145864056

Formula: C21H20N2O3

MW: 348.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.4
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	348.14739250
Monoisotopic Mass	348.14739250
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	559
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
GTR19191749-01	EMI56