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214139-26-1 | 1-((tert-Butoxycarbonyl);amino);-2,3-dihydro-1H-indene-1-carboxylic acid
CAS No: 214139-26-1 Catalog No: AG003D2B MDL No:MFCD00800596
Product Description
Catalog Number:
AG003D2B
Chemical Name:
1-((tert-Butoxycarbonyl);amino);-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
214139-26-1
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD00800596
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
UZCCJRDJRMVGLU-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCc2c1cccc2)C(=O)O)OC(C)(C)C
Properties
Complexity:
401
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:
2
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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