Home Carboxys 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)adamantane-2-carboxylic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)adamantane-2-carboxylic acid

CAS No.:
1092172-31-0
Catalog Number:
AG01EKC5
Molecular Formula:
C26H27NO4
Molecular Weight:
417.4969
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Product Description
Catalog Number:
AG01EKC5
Chemical Name:
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)adamantane-2-carboxylic acid
CAS Number:
1092172-31-0
Molecular Formula:
C26H27NO4
Molecular Weight:
417.4969
MDL Number:
MFCD31421527
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)adamantane-2-carboxylic acid
InChI:
InChI=1S/C26H27NO4/c28-24(29)26(17-10-15-9-16(12-17)13-18(26)11-15)27-25(30)31-14-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,15-18,23H,9-14H2,(H,27,30)(H,28,29)
InChI Key:
RBURZOWRTXGQPH-UHFFFAOYSA-N
SMILES:
O=C(NC1(C(=O)O)C2CC3CC1CC(C2)C3)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
685  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.194g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
417.505g/mol
Monoisotopic Mass:
417.194g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties