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FPR A14

CAT: 0572-TRC-F756515-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F756515-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
329691-12-5
Synonyms
1,3-Benzodioxole-5-carboxylic Acid, [[3-methoxy-4-(phenylmethoxy)phenyl]methylene]hydrazide (9CI); FPR A14
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1cc(\C=N/NC(=O)c2ccc3OCOc3c2)ccc1OCc4ccccc4
Molecular Formula
C23H20N2O5
Molecular Weight
404.42
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CAS Number329691-12-5
PubChem CID5503194
IUPAC NameN-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Molecular FormulaC23H20N2O5
Molecular Weight404.4
XLogP4.1
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity580
SMILES
COC1=C(C=CC(=C1)/C=N\NC(=O)C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4
InChI
InChI=1S/C23H20N2O5/c1-27-21-11-17(7-9-19(21)28-14-16-5-3-2-4-6-16)13-24-25-23(26)18-8-10-20-22(12-18)30-15-29-20/h2-13H,14-15H2,1H3,(H,25,26)/b24-13-
InChIKey
ULOKADSYVZOTTL-CFRMEGHHSA-N
Chemical Structure
2D Structure
2D structure of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CAS: 329691-12-5
CID: 5503194
Formula: C23H20N2O5
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass404.13722174
Monoisotopic Mass404.13722174
Topological Polar Surface Area78.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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