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1021154-59-5 | 1H-Indole-3-carboxylic acid, 1-cyclopropyl-, methyl ester
CAS No: 1021154-59-5 Catalog No: AG0006NI MDL No:
Product Description
Catalog Number:
AG0006NI
Chemical Name:
1H-Indole-3-carboxylic acid, 1-cyclopropyl-, methyl ester
CAS Number:
1021154-59-5
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
methyl 1-cyclopropylindole-3-carboxylate
InChI:
InChI=1S/C13H13NO2/c1-16-13(15)11-8-14(9-6-7-9)12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3
InChI Key:
ZQUWPDJWGIXYPT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(c2c1cccc2)C1CC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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