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2770-92-5 | 1H-Indole-3-acetic acid, α,α-dimethyl-
CAS No: 2770-92-5 Catalog No: AG002UIF MDL No:MFCD19373467
Product Description
Catalog Number:
AG002UIF
Chemical Name:
1H-Indole-3-acetic acid, α,α-dimethyl-
CAS Number:
2770-92-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD19373467
IUPAC Name:
2-(1H-indol-3-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C12H13NO2/c1-12(2,11(14)15)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,1-2H3,(H,14,15)
InChI Key:
FCCAHDWYBGCCMD-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1c[nH]c2c1cccc2)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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