Products for Research Use Only
RegisterLogin

NCS-382

CAT: 0931-T23060-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T23060-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
520505-01-5
Target
Others, GABA Receptor
Related Pathways
Others, Membrane transporter/Ion channel, Neuroscience
Bioactivity
γ-Hydroxybutyric acid antagonist
Smiles
OC1C=2C(CCCC1=CC(O)=O)=CC=CC2
Molecular Formula
C13H14O3
Molecular Weight
218.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2E)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid
CAS Number520505-01-5
PubChem CID5875451
IUPAC Name(2E)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid
Molecular FormulaC13H14O3
Molecular Weight218.25
XLogP1.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity296
SMILES
C1CC2=CC=CC=C2C(/C(=C/C(=O)O)/C1)O
InChI
InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+
InChIKey
UADPGHINQMWEAG-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of (2E)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid
CAS: 520505-01-5
CID: 5875451
Formula: C13H14O3
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass218.094294304
Monoisotopic Mass218.094294304
Topological Polar Surface Area57.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TSH-00099-01THP-NCS
T11936-01Macropa-NCS
T68181-01NCS-356
T87590-01UBX-382
T35333-01ARRY-382
T79606-01CAF-382
T69259-01NCS-356 sodium
T70683-01NA 382
T71533-01NCS-356 sodium monohydrate
TSH-00098-01P-NCS-Bz-NODA-GA

Alternative Products

CatalogName
sc-506434NCS-382
HY-W008645-01NCS-382 (sodium)
MBS5819781NCS-382 sodium
285107-01NCS-382, sodium salt
sc-203444ANCS-382 Sodium Salt
HY-159183THP-NCS
HY-111605Macropa-NCS
23119NCS antibody
GTR19211705-01NCS-356
sc-489819DBD-NCS

Popular Products