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204322-23-6 | 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3S)-
CAS No: 204322-23-6 Catalog No: AG0029F3 MDL No:MFCD00673786
Product Description
Catalog Number:
AG0029F3
Chemical Name:
2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3S)-
CAS Number:
204322-23-6
Molecular Formula:
C27H21N2O4-
Molecular Weight:
437.4666
MDL Number:
MFCD00673786
IUPAC Name:
(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
InChI:
InChI=1S/C27H22N2O4/c30-26(31)25-13-21-20-11-5-6-12-23(20)28-24(21)14-29(25)27(32)33-15-22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,22,25,28H,13-15H2,(H,30,31)/t25-/m0/s1
InChI Key:
IHHULIKSMJSELI-VWLOTQADSA-N
SMILES:
[O-]C(=O)[C@@H]1Cc2c(CN1C(=O)OCC1c3ccccc3c3c1cccc3)[nH]c1c2cccc1
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
438.158g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.483g/mol
Monoisotopic Mass:
438.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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