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88611-38-5 | 2,5,7-Trimethyl-1H-indole-3-carbaldehyde
CAS No: 88611-38-5 Catalog No: AG01EY7X MDL No:
Product Description
Catalog Number:
AG01EY7X
Chemical Name:
2,5,7-Trimethyl-1H-indole-3-carbaldehyde
CAS Number:
88611-38-5
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2,5,7-trimethyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(6-14)9(3)13-12/h4-6,13H,1-3H3
InChI Key:
LYJNXZAUUKBQKU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)[nH]c2c1cc(C)cc2C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/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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