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GLL398

CAT: 0498-bs-7024C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7024C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2077980-83-5
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
CCC(=C(C1C=CC(C=CC(O)=O)=CC=1)C1C=CC(=CC=1)B(O)O)C1C=CC=CC=1
Molecular Formula
C25 H23 B O4
Molecular Weight
398.26
InChI
InChI=1S/C25H23BO4/c1-2-23 (19-6-4-3-5-7-19) 25 (21-13-15-22 (16-14-21) 26 (29) 30) 20-11-8-18 (9-12-20) 10-17-24 (27) 28/h3-17,29-30H,2H2,1H3, (H,27,28) /b17-10+,25-23+
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

(E)-3-[4-[(E)-1-(4-boronophenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CAS Number2077980-83-5
PubChem CID134827771
IUPAC Name(E)-3-[4-[(E)-1-(4-boronophenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
Molecular FormulaC25H23BO4
Molecular Weight398.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity605
SMILES
B(C1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)/C=C/C(=O)O)(O)O
InChI
InChI=1S/C25H23BO4/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(16-14-21)26(29)30)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,29-30H,2H2,1H3,(H,27,28)/b17-10+,25-23-
InChIKey
BINZFDGAOTWQNC-VZBZSUMNSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-[4-[(E)-1-(4-boronophenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CAS: 2077980-83-5
CID: 134827771
Formula: C25H23BO4
MW: 398.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass398.1689394
Monoisotopic Mass398.1689394
Topological Polar Surface Area77.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CID98083-01GLL398
HY-114770(E, E) -GLL398

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