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AMCA-H

CAT: 0498-bs-75799C-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75799C-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106562-32-7
Conjugation
Unconjugated
Purity
>90% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO or DMF.
Smiles
CC1=C(CC(O)=O)C(=O)OC2=C1C=CC(N)=C2
Molecular Formula
C12H11NO4
Molecular Weight
233.22
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
Brown solid.

Chemical Information

7-Amino-4-methylcoumarin-3-acetic acid
CAS Number106562-32-7
PubChem CID129367
IUPAC Name2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acid
Molecular FormulaC12H11NO4
Molecular Weight233.22
XLogP0.6
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity388
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)O
InChI
InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)
InChIKey
QEQDLKUMPUDNPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Amino-4-methylcoumarin-3-acetic acid
CAS: 106562-32-7
CID: 129367
Formula: C12H11NO4
MW: 233.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.22
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass233.06880783
Monoisotopic Mass233.06880783
Topological Polar Surface Area89.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity388
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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