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1196075-55-4 | 1H-Pyrido[3,4-b]indole-2,9-dicarboxylic acid, 3,4-dihydro-, 2,9-bis(1,1-dimethylethyl) ester
CAS No: 1196075-55-4 Catalog No: AG000P9W MDL No:MFCD19704855
Product Description
Catalog Number:
AG000P9W
Chemical Name:
1H-Pyrido[3,4-b]indole-2,9-dicarboxylic acid, 3,4-dihydro-, 2,9-bis(1,1-dimethylethyl) ester
CAS Number:
1196075-55-4
Molecular Formula:
C21H28N2O4
Molecular Weight:
372.4580
MDL Number:
MFCD19704855
IUPAC Name:
ditert-butyl 3,4-dihydro-1H-pyrido[3,4-b]indole-2,9-dicarboxylate
InChI:
InChI=1S/C21H28N2O4/c1-20(2,3)26-18(24)22-12-11-15-14-9-7-8-10-16(14)23(17(15)13-22)19(25)27-21(4,5)6/h7-10H,11-13H2,1-6H3
InChI Key:
BYHRVOCDJKDKAQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)n(C(=O)OC(C)(C)C)c1c2cccc1)OC(C)(C)C
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.205g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.465g/mol
Monoisotopic Mass:
372.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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