Home Carbonyls 2-{1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indol-6-yl}acetic acid

2-{1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indol-6-yl}acetic acid

CAS No.:
1158761-63-7
Catalog Number:
AG01AUO1
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
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Product Description
Catalog Number:
AG01AUO1
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indol-6-yl}acetic acid
CAS Number:
1158761-63-7
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD12408263
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-6-yl]acetic acid
InChI:
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-11-5-4-10(8-12(11)16)9-13(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChI Key:
MRSMSHNOPZPJFG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)N(CC2)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:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties