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S24014

CAT: 0013-GTR19192772-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192772-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S24014
CAS Number
229323-14-2
Smiles
O=C (NCCC1=C (OC=2C=CC (OC) =CC21) CC=3C=CC=C (OC) C3) C
Molecular Formula
C21H23NO4
Molecular Weight
353.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S24014
CAS Number229323-14-2
PubChem CID9998187
IUPAC NameN-[2-[5-methoxy-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
Molecular FormulaC21H23NO4
Molecular Weight353.4
XLogP3.8
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity457
SMILES
CC(=O)NCCC1=C(OC2=C1C=C(C=C2)OC)CC3=CC(=CC=C3)OC
InChI
InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)
InChIKey
GNWDMICUDNQPEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S24014
CAS: 229323-14-2
CID: 9998187
Formula: C21H23NO4
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass353.16270821
Monoisotopic Mass353.16270821
Topological Polar Surface Area60.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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