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1463-60-1 | 1H-Indole-2-carboxaldehyde, 5-methyl-
CAS No: 1463-60-1 Catalog No: AG001DVO MDL No:MFCD06801043
Product Description
Catalog Number:
AG001DVO
Chemical Name:
1H-Indole-2-carboxaldehyde, 5-methyl-
CAS Number:
1463-60-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD06801043
IUPAC Name:
5-methyl-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C10H9NO/c1-7-2-3-10-8(4-7)5-9(6-12)11-10/h2-6,11H,1H3
InChI Key:
ZNQPHKBPSUZRAA-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c([nH]1)ccc(c2)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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