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Home Carboxys 2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)pyridine-4-carboxylic acid

2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)pyridine-4-carboxylic acid

CAS No.:
1514977-42-4
Catalog Number:
AG01BG5U
Molecular Formula:
C22H18N2O4
Molecular Weight:
374.3893
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Product Description
Catalog Number:
AG01BG5U
Chemical Name:
2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)pyridine-4-carboxylic acid
CAS Number:
1514977-42-4
Molecular Formula:
C22H18N2O4
Molecular Weight:
374.3893
MDL Number:
MFCD24170767
IUPAC Name:
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-4-carboxylic acid
InChI:
InChI=1S/C22H18N2O4/c25-21(26)14-9-10-23-15(11-14)12-24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20H,12-13H2,(H,24,27)(H,25,26)
InChI Key:
XNCBIAWPGHTCPD-UHFFFAOYSA-N
SMILES:
O=C(NCc1nccc(c1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
547  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.127g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
374.396g/mol
Monoisotopic Mass:
374.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties