Home Carbonyls 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

CAS No.:
1699289-36-5
Catalog Number:
AG01EKD5
Molecular Formula:
C25H23NO6
Molecular Weight:
433.4532
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Product Description
Catalog Number:
AG01EKD5
Chemical Name:
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CAS Number:
1699289-36-5
Molecular Formula:
C25H23NO6
Molecular Weight:
433.4532
MDL Number:
MFCD02682283
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C25H23NO6/c1-31-23-13-15(10-11-22(23)27)12-21(24(28)29)26-25(30)32-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,13,20-21,27H,12,14H2,1H3,(H,26,30)(H,28,29)
InChI Key:
RNGOFAFWPOOZJT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
634  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.153g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
433.46g/mol
Monoisotopic Mass:
433.153g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties