Home Carboxys 4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

CAS No.:
647036-24-6
Catalog Number:
AG00IBEE
Molecular Formula:
C24H23NO5
Molecular Weight:
405.4431
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Product Description
Catalog Number:
AG00IBEE
Chemical Name:
4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CAS Number:
647036-24-6
Molecular Formula:
C24H23NO5
Molecular Weight:
405.4431
MDL Number:
MFCD03478305
IUPAC Name:
4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
InChI:
InChI=1S/C24H23NO5/c1-28-19-12-14(13-20(29-2)23(19)30-3)11-15-7-6-9-17-21(24(26)27)16-8-4-5-10-18(16)25-22(15)17/h4-5,8,10-13H,6-7,9H2,1-3H3,(H,26,27)
InChI Key:
QCQQUVYMWQPHRO-UHFFFAOYSA-N
SMILES:
COc1cc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)cc(c1OC)OC
Properties
Complexity:
623  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.158g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
405.45g/mol
Monoisotopic Mass:
405.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.4  
Properties