Home Carbonyls 4-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-methylpyrrolidin-3-yl)benzoic acid

4-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-methylpyrrolidin-3-yl)benzoic acid

CAS No.:
2137875-81-9
Catalog Number:
AG01EKQA
Molecular Formula:
C27H25NO4
Molecular Weight:
427.4917
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Product Description
Catalog Number:
AG01EKQA
Chemical Name:
4-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-methylpyrrolidin-3-yl)benzoic acid
CAS Number:
2137875-81-9
Molecular Formula:
C27H25NO4
Molecular Weight:
427.4917
MDL Number:
MFCD31615468
IUPAC Name:
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylpyrrolidin-3-yl]benzoic acid
InChI:
InChI=1S/C27H25NO4/c1-17-14-20(18-10-12-19(13-11-18)26(29)30)15-28(17)27(31)32-16-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-13,17,20,25H,14-16H2,1H3,(H,29,30)
InChI Key:
UPCAQJUCLDBCNF-UHFFFAOYSA-N
SMILES:
CC1CC(CN1C(=O)OCC1c2ccccc2c2c1cccc2)c1ccc(cc1)C(=O)O
Properties
Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.178g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
427.5g/mol
Monoisotopic Mass:
427.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties