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1000341-42-3 | 1H-Indole-2-carboxylic acid, 5-methoxy-7-nitro-, methyl ester
CAS No: 1000341-42-3 Catalog No: AG0000GL MDL No:
Product Description
Catalog Number:
AG0000GL
Chemical Name:
1H-Indole-2-carboxylic acid, 5-methoxy-7-nitro-, methyl ester
CAS Number:
1000341-42-3
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
IUPAC Name:
methyl 5-methoxy-7-nitro-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H10N2O5/c1-17-7-3-6-4-8(11(14)18-2)12-10(6)9(5-7)13(15)16/h3-5,12H,1-2H3
InChI Key:
VEZJPSMVGQWPNA-UHFFFAOYSA-N
SMILES:
COc1cc2cc([nH]c2c(c1)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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