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73857-25-7 | Propanedioic acid, [1-(methoxycarbonyl)-1H-indol-3-yl]-, dimethyl ester
CAS No: 73857-25-7 Catalog No: AG005AYP MDL No:
Product Description
Catalog Number:
AG005AYP
Chemical Name:
Propanedioic acid, [1-(methoxycarbonyl)-1H-indol-3-yl]-, dimethyl ester
CAS Number:
73857-25-7
Molecular Formula:
C15H15NO6
Molecular Weight:
305.2827
IUPAC Name:
dimethyl 2-(1-methoxycarbonylindol-3-yl)propanedioate
InChI:
InChI=1S/C15H15NO6/c1-20-13(17)12(14(18)21-2)10-8-16(15(19)22-3)11-7-5-4-6-9(10)11/h4-8,12H,1-3H3
InChI Key:
NFWLITATSBQMRJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cn(c2c1cccc2)C(=O)OC)C(=O)OC
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.286g/mol
Monoisotopic Mass:
305.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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