Home Other Building Blocks 4-(2-oxo-2,3-dihydro-1H-indol-5-yl)butanoic acid

4-(2-oxo-2,3-dihydro-1H-indol-5-yl)butanoic acid

CAS No.:
1042520-06-8
Catalog Number:
AG01AB1W
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01AB1W
Chemical Name:
4-(2-oxo-2,3-dihydro-1H-indol-5-yl)butanoic acid
CAS Number:
1042520-06-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD11168389
IUPAC Name:
4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
InChI:
InChI=1S/C12H13NO3/c14-11-7-9-6-8(2-1-3-12(15)16)4-5-10(9)13-11/h4-6H,1-3,7H2,(H,13,14)(H,15,16)
InChI Key:
AKRKNRCNQNYUSB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc2c(c1)CC(=O)N2
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties