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TMC 120C

CAT: 0931-T125205-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125205-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
250231-82-4
Target
Others
Related Pathways
Others
Bioactivity
TMC 120C is a natural product that can be used as a reference standard. The CAS number of TMC 120C is 250231-82-4.
Smiles
CC(C)C1(O)Oc2c(ccc3cc(C)ncc23)C1=O
Molecular Formula
C15H15NO3
Molecular Weight
257.289
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Hydroxy-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one

See also: Tmc 120C (annotation moved to).

CAS Number250231-82-4
PubChem CID10467646
IUPAC Name2-hydroxy-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
Molecular FormulaC15H15NO3
Molecular Weight257.28
XLogP2.7
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity384
SMILES
CC1=CC2=C(C=N1)C3=C(C=C2)C(=O)C(O3)(C(C)C)O
InChI
InChI=1S/C15H15NO3/c1-8(2)15(18)14(17)11-5-4-10-6-9(3)16-7-12(10)13(11)19-15/h4-8,18H,1-3H3
InChIKey
CYCJFMKXQPLWCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
CAS: 250231-82-4
CID: 10467646
Formula: C15H15NO3
MW: 257.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight257.28
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass257.10519334
Monoisotopic Mass257.10519334
Topological Polar Surface Area59.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes