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128050-98-6 | 9-Anthracenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI)
CAS No: 128050-98-6 Catalog No: AG000XPG MDL No:MFCD02094459
Product Description
Catalog Number:
AG000XPG
Chemical Name:
9-Anthracenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI)
CAS Number:
128050-98-6
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
MDL Number:
MFCD02094459
IUPAC Name:
(2R)-3-anthracen-9-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C22H23NO4/c1-22(2,3)27-21(26)23-19(20(24)25)13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-12,19H,13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChI Key:
GYXDEFFXDFOZMJ-LJQANCHMSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1c2ccccc2cc2c1cccc2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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