AX-024

CAT: 0926-VEC54473-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VEC54473-02Size:50 mg

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

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CAS Number

1370544-73-2

MDL Number

MFCD30609505

Smiles

COC1=CC2=C (C=C1) OCC (=C2C3=CC=C (C=C3) F) CN4CCCC4

Molecular Formula

C21H22FNO2

Molecular Weight

339.4 g/mol

Controlled

Chemical Information

AX-024

CAS Number	1370544-73-2
PubChem CID	56949412
IUPAC Name	1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidine
Molecular Formula	C21H22FNO2
Molecular Weight	339.4
XLogP	3.4
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	480

SMILES

COC1=CC2=C(C=C1)OCC(=C2C3=CC=C(C=C3)F)CN4CCCC4

InChI

InChI=1S/C21H22FNO2/c1-24-18-8-9-20-19(12-18)21(15-4-6-17(22)7-5-15)16(14-25-20)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3

InChIKey

VMMKGVRPILDZML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1370544-73-2

CID: 56949412

Formula: C21H22FNO2

MW: 339.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.4
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	339.16345711
Monoisotopic Mass	339.16345711
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	480
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