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1251904-51-4 | 7-Octenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS No: 1251904-51-4 Catalog No: AG000NC0 MDL No:MFCD03094929
Product Description
Catalog Number:
AG000NC0
Chemical Name:
7-Octenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS Number:
1251904-51-4
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
MDL Number:
MFCD03094929
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)oct-7-enoic acid
InChI:
InChI=1S/C23H25NO4/c1-2-3-4-5-14-21(22(25)26)24-23(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h2,6-13,20-21H,1,3-5,14-15H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChI Key:
UAOCBDJIBBTOBI-NRFANRHFSA-N
SMILES:
C=CCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
379.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.456g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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