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127582-76-7 | Heptanoic acid, 7-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS No: 127582-76-7 Catalog No: AG000X6N MDL No:MFCD01861353
Product Description
Catalog Number:
AG000X6N
Chemical Name:
Heptanoic acid, 7-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS Number:
127582-76-7
Molecular Formula:
C22H25NO4
Molecular Weight:
367.4382
MDL Number:
MFCD01861353
IUPAC Name:
7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
InChI:
InChI=1S/C22H25NO4/c24-21(25)13-3-1-2-8-14-23-22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,1-3,8,13-15H2,(H,23,26)(H,24,25)
InChI Key:
FRPYXTFBPCYALT-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.445g/mol
Monoisotopic Mass:
367.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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