Home Carboxys 1-amino-3-(propan-2-yl)-2,3-dihydro-1H-indene-1-carboxylic acid

1-amino-3-(propan-2-yl)-2,3-dihydro-1H-indene-1-carboxylic acid

CAS No.:
1803591-59-4
Catalog Number:
AG01BH4D
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01BH4D
Chemical Name:
1-amino-3-(propan-2-yl)-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
1803591-59-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD28139505
IUPAC Name:
1-amino-3-propan-2-yl-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C13H17NO2/c1-8(2)10-7-13(14,12(15)16)11-6-4-3-5-9(10)11/h3-6,8,10H,7,14H2,1-2H3,(H,15,16)
InChI Key:
GKXUZTINRJOQLC-UHFFFAOYSA-N
SMILES:
CC(C1CC(c2c1cccc2)(N)C(=O)O)C
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties