Home Carboxys 8-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

8-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

CAS No.:
2138398-65-7
Catalog Number:
AG01EL1U
Molecular Formula:
C27H25NO4
Molecular Weight:
427.4917
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Product Description
Catalog Number:
AG01EL1U
Chemical Name:
8-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CAS Number:
2138398-65-7
Molecular Formula:
C27H25NO4
Molecular Weight:
427.4917
MDL Number:
MFCD31558814
IUPAC Name:
8-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C27H25NO4/c29-26(30)18-13-12-17-6-5-7-19(24(17)14-18)15-28-27(31)32-16-25-22-10-3-1-8-20(22)21-9-2-4-11-23(21)25/h1-4,8-14,19,25H,5-7,15-16H2,(H,28,31)(H,29,30)
InChI Key:
OBDHLBINWJWYKK-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCC1CCCc2c1cc(cc2)C(=O)O
Properties
Complexity:
659  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
427.5g/mol
Monoisotopic Mass:
427.178g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties