Home Carbonyls 4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methoxybenzoic acid

4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methoxybenzoic acid

CAS No.:
2125396-31-6
Catalog Number:
AG01EKQN
Molecular Formula:
C24H21NO5
Molecular Weight:
403.4272
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Product Description
Catalog Number:
AG01EKQN
Chemical Name:
4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methoxybenzoic acid
CAS Number:
2125396-31-6
Molecular Formula:
C24H21NO5
Molecular Weight:
403.4272
MDL Number:
MFCD31593502
IUPAC Name:
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
InChI:
InChI=1S/C24H21NO5/c1-29-22-12-15(10-11-20(22)23(26)27)13-25-24(28)30-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27)
InChI Key:
VGCXVKHYFGQWIA-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)OCC2c3ccccc3c3c2cccc3)ccc1C(=O)O
Properties
Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.142g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
403.434g/mol
Monoisotopic Mass:
403.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties