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30642-36-5 | 1H-Indole, trimethyl-
CAS No: 30642-36-5 Catalog No: AG0030R0 MDL No:
Product Description
Catalog Number:
AG0030R0
Chemical Name:
1H-Indole, trimethyl-
CAS Number:
30642-36-5
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
3,4,7-trimethyl-1H-indole;4,6,7-trimethyl-1H-indole
InChI:
InChI=1S/2C11H13N/c1-7-6-8(2)10-4-5-12-11(10)9(7)3;1-7-4-5-8(2)11-10(7)9(3)6-12-11/h2*4-6,12H,1-3H3
InChI Key:
ZLBQDFFUJTUPQR-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2c(c1C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.464g/mol
Monoisotopic Mass:
318.21g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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