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1160995-04-9 | 1H-Indole-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS No: 1160995-04-9 Catalog No: AG000BMN MDL No:MFCD11973830
Product Description
Catalog Number:
AG000BMN
Chemical Name:
1H-Indole-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
1160995-04-9
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
MDL Number:
MFCD11973830
IUPAC Name:
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-3-carboxylate
InChI:
InChI=1S/C16H20N2O4/c1-5-21-14(19)12-10-8-6-7-9-11(10)17-13(12)18-15(20)22-16(2,3)4/h6-9,17H,5H2,1-4H3,(H,18,20)
InChI Key:
UQCCBKFSBGPNMA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(NC(=O)OC(C)(C)C)[nH]c2c1cccc2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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