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Home > Indoles and Oxindole > 27505-78-8
27505-78-8 | 1H-Indole, 2,3,7-trimethyl-
CAS No: 27505-78-8 Catalog No: AG002TZ1 MDL No:MFCD00044721
Product Description
Catalog Number:
AG002TZ1
Chemical Name:
1H-Indole, 2,3,7-trimethyl-
CAS Number:
27505-78-8
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00044721
IUPAC Name:
2,3,7-trimethyl-1H-indole
InChI:
InChI=1S/C11H13N/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6,12H,1-3H3
InChI Key:
USKKDNORVCJALM-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1C)cccc2C
UNII:
B4TH2M5RNW
NSC Number:
90785
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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