Home Carbonyls 3-[4-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]benzoic acid

3-[4-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]benzoic acid

CAS No.:
880158-56-5
Catalog Number:
AG01DWS0
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DWS0
Chemical Name:
3-[4-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]benzoic acid
CAS Number:
880158-56-5
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
MDL Number:
MFCD31654188
IUPAC Name:
3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoic acid
InChI:
InChI=1S/C19H21NO4/c1-19(2,3)24-18(23)20-12-13-7-9-14(10-8-13)15-5-4-6-16(11-15)17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChI Key:
TXWXKKRFLCNKIF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1)c1cccc(c1)C(=O)O
Properties
Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties