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DC-CPin7

CAT: 0013-GTR19187240-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187240-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DC-CPin7
CAS Number
893781-17-4
Field of Research
Epigenetics & Chromatin
Smiles
C (OC) (=O) N1C=2C (=CC (NC (=O) C3C (C (O) =O) CC=CC3) =CC2) CCC1
Molecular Formula
C19H22N2O5
Molecular Weight
358.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-[(1-methoxycarbonyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CAS Number893781-17-4
PubChem CID5312017
IUPAC Name6-[(1-methoxycarbonyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Molecular FormulaC19H22N2O5
Molecular Weight358.4
XLogP1.9
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity590
SMILES
COC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O
InChI
InChI=1S/C19H22N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,20,22)(H,23,24)
InChIKey
KPFUFQIEFZZIBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[(1-methoxycarbonyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CAS: 893781-17-4
CID: 5312017
Formula: C19H22N2O5
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass358.15287181
Monoisotopic Mass358.15287181
Topological Polar Surface Area95.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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