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Home > Indoles and Oxindole > 6954-19-4
6954-19-4 | Butanedioic acid,2,3-di-1H-indol-3-yl-, dimethyl ester (9CI)
CAS No: 6954-19-4 Catalog No: AG005X9H MDL No:
Product Description
Catalog Number:
AG005X9H
Chemical Name:
Butanedioic acid,2,3-di-1H-indol-3-yl-, dimethyl ester (9CI)
CAS Number:
6954-19-4
Molecular Formula:
C22H20N2O4
Molecular Weight:
376.4052
IUPAC Name:
dimethyl 2,3-bis(1H-indol-3-yl)butanedioate
InChI:
InChI=1S/C22H20N2O4/c1-27-21(25)19(15-11-23-17-9-5-3-7-13(15)17)20(22(26)28-2)16-12-24-18-10-6-4-8-14(16)18/h3-12,19-20,23-24H,1-2H3
InChI Key:
PKAROQQDLLELOE-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1c[nH]c2c1cccc2)C(c1c[nH]c2c1cccc2)C(=O)OC
NSC Number:
69184
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.142g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.412g/mol
Monoisotopic Mass:
376.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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