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1176648-58-0 | Benzeneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methoxy-, (αS)-
CAS No: 1176648-58-0 Catalog No: AG000HMQ MDL No:MFCD07371754
Product Description
Catalog Number:
AG000HMQ
Chemical Name:
Benzeneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methoxy-, (αS)-
CAS Number:
1176648-58-0
Molecular Formula:
C24H21NO5
Molecular Weight:
403.4272
MDL Number:
MFCD07371754
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methoxyphenyl)acetic acid
InChI:
InChI=1S/C24H21NO5/c1-29-21-13-7-6-12-19(21)22(23(26)27)25-24(28)30-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-13,20,22H,14H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1
InChI Key:
LZAACEXURLBYEU-QFIPXVFZSA-N
SMILES:
COc1ccccc1[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
403.142g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.434g/mol
Monoisotopic Mass:
403.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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