Home Carboxys 1-[(9H-fluoren-9-ylmethoxy)carbonyl]azepane-2-carboxylic acid

1-[(9H-fluoren-9-ylmethoxy)carbonyl]azepane-2-carboxylic acid

CAS No.:
632350-45-9
Catalog Number:
AG01B1A6
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
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Product Description
Catalog Number:
AG01B1A6
Chemical Name:
1-[(9H-fluoren-9-ylmethoxy)carbonyl]azepane-2-carboxylic acid
CAS Number:
632350-45-9
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
MDL Number:
MFCD20362135
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
InChI:
InChI=1S/C22H23NO4/c24-21(25)20-12-2-1-7-13-23(20)22(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,1-2,7,12-14H2,(H,24,25)
InChI Key:
WVJOHQNQAXAVJQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties