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1463-67-8 | 1H-Indole-2-carboxaldehyde, 3,5-dimethyl-
CAS No: 1463-67-8 Catalog No: AG001DVN MDL No:MFCD07643177
Product Description
Catalog Number:
AG001DVN
Chemical Name:
1H-Indole-2-carboxaldehyde, 3,5-dimethyl-
CAS Number:
1463-67-8
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD07643177
IUPAC Name:
3,5-dimethyl-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C11H11NO/c1-7-3-4-10-9(5-7)8(2)11(6-13)12-10/h3-6,12H,1-2H3
InChI Key:
XFYUNHFBHYCXIN-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(c1C)cc(cc2)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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