Home Carbonyls 3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)prop-2-ynoic acid

3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)prop-2-ynoic acid

CAS No.:
2138033-46-0
Catalog Number:
AG01EMNN
Molecular Formula:
C23H21NO4
Molecular Weight:
375.4171
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Product Description
Catalog Number:
AG01EMNN
Chemical Name:
3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)prop-2-ynoic acid
CAS Number:
2138033-46-0
Molecular Formula:
C23H21NO4
Molecular Weight:
375.4171
MDL Number:
MFCD31558810
IUPAC Name:
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]prop-2-ynoic acid
InChI:
InChI=1S/C23H21NO4/c25-22(26)12-11-16-6-5-13-24(14-16)23(27)28-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,13-15H2,(H,25,26)
InChI Key:
GZOOVXCJZHTGMF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)C#CC(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.147g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
375.424g/mol
Monoisotopic Mass:
375.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties