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858747-09-8 | METHYL 3-FORMYL-4-METHOXY-1H-INDOLE-2-CARBOXYLATE
CAS No: 858747-09-8 Catalog No: AG004WVS MDL No:MFCD03848070
Product Description
Catalog Number:
AG004WVS
Chemical Name:
METHYL 3-FORMYL-4-METHOXY-1H-INDOLE-2-CARBOXYLATE
CAS Number:
858747-09-8
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD03848070
IUPAC Name:
methyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H11NO4/c1-16-9-5-3-4-8-10(9)7(6-14)11(13-8)12(15)17-2/h3-6,13H,1-2H3
InChI Key:
ZDGKXDNTVDZYKN-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c2c(c1C=O)c(OC)ccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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