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4µ8C

CAT: 0127-OR1023959-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1023959-02Size:250 mg
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CAS Number
14003-96-4
Synonyms
7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
Purity
99%
Smiles
CC1=CC(=O)OC2=C1C=CC(=C2C=O)O

Chemical Information

4-Methylumbelliferone 8-carbaldehyde

4mu8C is an organic molecular entity. It has a role as an EC 2.7.11.* (protein-serine/threonine kinase) inhibitor.

CAS Number14003-96-4
PubChem CID12934390
IUPAC Name7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
Molecular FormulaC11H8O4
Molecular Weight204.18
XLogP1.5
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity321
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
InChI
InChI=1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
InChIKey
RTHHSXOVIJWFQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferone 8-carbaldehyde
CAS: 14003-96-4
CID: 12934390
Formula: C11H8O4
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass204.04225873
Monoisotopic Mass204.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity321
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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