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710296-59-6 | 1-sec-Butyl-1H-indole-3-carbaldehyde
CAS No: 710296-59-6 Catalog No: AG01EX1X MDL No:
Product Description
Catalog Number:
AG01EX1X
Chemical Name:
1-sec-Butyl-1H-indole-3-carbaldehyde
CAS Number:
710296-59-6
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
1-butan-2-ylindole-3-carbaldehyde
InChI:
InChI=1S/C13H15NO/c1-3-10(2)14-8-11(9-15)12-6-4-5-7-13(12)14/h4-10H,3H2,1-2H3
InChI Key:
DVWVYGDYAXQSRP-UHFFFAOYSA-N
SMILES:
CCC(n1cc(c2c1cccc2)C=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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