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Tilnoprofenic acid

CAT: 0931-T34882Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34882Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52549-42-5
Target
Others
Related Pathways
Others
Bioactivity
Tilnoprofenic acid can be used in related research in the field of life sciences. Its product number is T34882 and CAS number is 52549-42-5.
Smiles
O=C(O)C(C1=CC=C2OC=3N=C(C=CC3CC2=C1)C)C
Molecular Formula
C16H15NO3
Molecular Weight
269.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tilnoprofenic acid

structure given in first source

CAS Number52549-42-5
PubChem CID3080818
IUPAC Name2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
Molecular FormulaC16H15NO3
Molecular Weight269.29
XLogP3.1
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity373
SMILES
CC1=NC2=C(CC3=C(O2)C=CC(=C3)C(C)C(=O)O)C=C1
InChI
InChI=1S/C16H15NO3/c1-9-3-4-12-8-13-7-11(10(2)16(18)19)5-6-14(13)20-15(12)17-9/h3-7,10H,8H2,1-2H3,(H,18,19)
InChIKey
FJDZVZSBZSMBTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tilnoprofenic acid
CAS: 52549-42-5
CID: 3080818
Formula: C16H15NO3
MW: 269.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.29
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass269.10519334
Monoisotopic Mass269.10519334
Topological Polar Surface Area59.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity373
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