Home Other Building Blocks 3-(naphthalen-2-yl)-2-oxopropanoic acid

3-(naphthalen-2-yl)-2-oxopropanoic acid

CAS No.:
111726-64-8
Catalog Number:
AG019UX4
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
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Product Description
Catalog Number:
AG019UX4
Chemical Name:
3-(naphthalen-2-yl)-2-oxopropanoic acid
CAS Number:
111726-64-8
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
MDL Number:
MFCD00969473
IUPAC Name:
3-naphthalen-2-yl-2-oxopropanoic acid
InChI:
InChI=1S/C13H10O3/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,15,16)
InChI Key:
GTZXBCWKXWCNNO-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Cc1ccc2c(c1)cccc2
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties