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Oxamarin

CAT: 0926-QAA30180-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA30180-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15301-80-1
Smiles
CCN (CC) CCOC1=C (C=C2C (=C1) C (=CC (=O) O2) C) OCCN (CC) CC
Molecular Formula
C22H34N2O4
Molecular Weight
390.5 g/mol
Controlled
No

Chemical Information

Oxamarin

Oxamarin is a member of coumarins.

CAS Number15301-80-1
PubChem CID27190
IUPAC Name6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one
Molecular FormulaC22H34N2O4
Molecular Weight390.5
XLogP3.3
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count28
Formal Charge0
Complexity503
SMILES
CCN(CC)CCOC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCCN(CC)CC
InChI
InChI=1S/C22H34N2O4/c1-6-23(7-2)10-12-26-20-15-18-17(5)14-22(25)28-19(18)16-21(20)27-13-11-24(8-3)9-4/h14-16H,6-13H2,1-5H3
InChIKey
KDZPIXVLPYVHDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxamarin
CAS: 15301-80-1
CID: 27190
Formula: C22H34N2O4
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass390.25185757
Monoisotopic Mass390.25185757
Topological Polar Surface Area51.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity503
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

Alternative Products

CatalogName
MBS5783374Oxamarin

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