Home Carboxys 1-propionylindoline-5-carboxylic acid

1-propionylindoline-5-carboxylic acid

CAS No.:
1094303-82-8
Catalog Number:
AG00J5U3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG00J5U3
Chemical Name:
1-propionylindoline-5-carboxylic acid
CAS Number:
1094303-82-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD11177687
IUPAC Name:
1-propanoyl-2,3-dihydroindole-5-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c1-2-11(14)13-6-5-8-7-9(12(15)16)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChI Key:
OBPPDXQBSPJLET-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCc2c1ccc(c2)C(=O)O
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties