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Antibiotic TAN 1446A

CAT: 0013-GTR19228133-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228133-01Size:1 mg
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Description
Antibiotic TAN 1446A (CAS 148084-27-9) is a research chemical used in life science studies. It serves as a tool compound for investigating biological mechanisms in both in vitro and in vivo experimental models.
CAS Number
148084-27-9
Smiles
CCCCCCCC1CC2=CC (=O) C (C (O) =O) =C (O) C2=CO1
Molecular Formula
C17H22O5
Molecular Weight
306.358
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antibiotic TAN 1446A
CAS Number148084-27-9
PubChem CID54742784
IUPAC Name3-heptyl-8-hydroxy-6-oxo-3,4-dihydroisochromene-7-carboxylic acid
Molecular FormulaC17H22O5
Molecular Weight306.4
XLogP4.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity553
SMILES
CCCCCCCC1CC2=CC(=O)C(=C(C2=CO1)O)C(=O)O
InChI
InChI=1S/C17H22O5/c1-2-3-4-5-6-7-12-8-11-9-14(18)15(17(20)21)16(19)13(11)10-22-12/h9-10,12,19H,2-8H2,1H3,(H,20,21)
InChIKey
PHKVCHUVTDZCMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antibiotic TAN 1446A
CAS: 148084-27-9
CID: 54742784
Formula: C17H22O5
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass306.14672380
Monoisotopic Mass306.14672380
Topological Polar Surface Area83.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity553
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

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