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1360547-53-0 | 2-Bocaminomethyl-indan-2-carboxylic acid
CAS No: 1360547-53-0 Catalog No: AG01FBZ9 MDL No:MFCD21602364
Product Description
Catalog Number:
AG01FBZ9
Chemical Name:
2-Bocaminomethyl-indan-2-carboxylic acid
CAS Number:
1360547-53-0
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD21602364
IUPAC Name:
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-dihydroindene-2-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-10-16(13(18)19)8-11-6-4-5-7-12(11)9-16/h4-7H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
KBEKLIXEPFQAMO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(Cc2c(C1)cccc2)C(=O)O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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