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Home > Indoles and Oxindole > 689232-04-0
689232-04-0 | Carbamic acid, [2-(1H-indol-3-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS No: 689232-04-0 Catalog No: AG00JOJO MDL No:
Product Description
Catalog Number:
AG00JOJO
Chemical Name:
Carbamic acid, [2-(1H-indol-3-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS Number:
689232-04-0
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
tert-butyl N-[2-(1H-indol-3-yl)-2-oxoethyl]carbamate
InChI:
InChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-9-13(18)11-8-16-12-7-5-4-6-10(11)12/h4-8,16H,9H2,1-3H3,(H,17,19)
InChI Key:
DORDHFROSMQOBC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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