Home Carbonyls 2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azepan-4-yl)acetic acid

2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azepan-4-yl)acetic acid

CAS No.:
2137618-41-6
Catalog Number:
AG01EKYJ
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
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Product Description
Catalog Number:
AG01EKYJ
Chemical Name:
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azepan-4-yl)acetic acid
CAS Number:
2137618-41-6
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
MDL Number:
MFCD31558829
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-4-yl]acetic acid
InChI:
InChI=1S/C23H25NO4/c25-22(26)14-16-6-5-12-24(13-11-16)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,5-6,11-15H2,(H,25,26)
InChI Key:
WXHKKBWBBDRORH-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.178g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
379.456g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties