Home Carboxys 7-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxylic acid

7-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxylic acid

CAS No.:
2137996-99-5
Catalog Number:
AG01EL0R
Molecular Formula:
C25H27NO5
Molecular Weight:
421.4856
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EL0R
Chemical Name:
7-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxylic acid
CAS Number:
2137996-99-5
Molecular Formula:
C25H27NO5
Molecular Weight:
421.4856
MDL Number:
MFCD31558794
IUPAC Name:
7-(9H-fluoren-9-ylmethoxycarbonylamino)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxylic acid
InChI:
InChI=1S/C25H27NO5/c1-24(2)21-20(12-7-13-30-21)25(24,22(27)28)26-23(29)31-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-21H,7,12-14H2,1-2H3,(H,26,29)(H,27,28)
InChI Key:
WXUFFZGZENUAOG-UHFFFAOYSA-N
SMILES:
O=C(NC1(C(=O)O)C2CCCOC2C1(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
701  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.189g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
421.493g/mol
Monoisotopic Mass:
421.189g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties