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7-Aminocoumarin

CAT: 0607-C8401-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C8401-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19063-57-1
Molecular Formula
C9H7NO2
Molecular Weight
161.16
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

7-Aminocoumarin
CAS Number19063-57-1
PubChem CID189055
IUPAC Name7-aminochromen-2-one
Molecular FormulaC9H7NO2
Molecular Weight161.16
XLogP1.3
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity225
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)N
InChI
InChI=1S/C9H7NO2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H,10H2
InChIKey
RRHXPUCIXLAHIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Aminocoumarin
CAS: 19063-57-1
CID: 189055
Formula: C9H7NO2
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area52.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity225
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