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1260762-69-3 | 1H-Indole-2-carboxylic acid, 3-formyl-1-propyl-, methyl ester
CAS No: 1260762-69-3 Catalog No: AG000R4X MDL No:
Product Description
Catalog Number:
AG000R4X
Chemical Name:
1H-Indole-2-carboxylic acid, 3-formyl-1-propyl-, methyl ester
CAS Number:
1260762-69-3
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
methyl 3-formyl-1-propylindole-2-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-3-8-15-12-7-5-4-6-10(12)11(9-16)13(15)14(17)18-2/h4-7,9H,3,8H2,1-2H3
InChI Key:
UDISKCOSILTEJI-UHFFFAOYSA-N
SMILES:
CCCn1c2ccccc2c(c1C(=O)OC)C=O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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