Home Other Building Blocks 2-(2-ethyl-4-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid

2-(2-ethyl-4-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid

CAS No.:
861355-13-7
Catalog Number:
AG01BH89
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
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Product Description
Catalog Number:
AG01BH89
Chemical Name:
2-(2-ethyl-4-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CAS Number:
861355-13-7
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD28139548
IUPAC Name:
2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)acetic acid
InChI:
InChI=1S/C14H16O3/c1-2-14(9-13(16)17)7-10-5-3-4-6-11(10)12(15)8-14/h3-6H,2,7-9H2,1H3,(H,16,17)
InChI Key:
LLANIAVLHAHRGR-UHFFFAOYSA-N
SMILES:
CCC1(CC(=O)O)CC(=O)c2c(C1)cccc2
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties