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128550-08-3 | 1H-Indole-3-acetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 128550-08-3 Catalog No: AG000Y6Y MDL No:MFCD11847076
Product Description
Catalog Number:
AG000Y6Y
Chemical Name:
1H-Indole-3-acetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
128550-08-3
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD11847076
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]acetic acid
InChI:
InChI=1S/C15H17NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,18)
InChI Key:
VRZTWLIBIMXVMR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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