Home Other Building Blocks 2-Naphthalenebutanoic acid, γ-oxo-

2-Naphthalenebutanoic acid, γ-oxo-

CAS No.:
1590-22-3
Catalog Number:
AG001R39
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
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Product Description
Catalog Number:
AG001R39
Chemical Name:
2-Naphthalenebutanoic acid, γ-oxo-
CAS Number:
1590-22-3
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD00090143
IUPAC Name:
4-naphthalen-2-yl-4-oxobutanoic acid
InChI:
InChI=1S/C14H12O3/c15-13(7-8-14(16)17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,16,17)
InChI Key:
GZKLCZIMSAHQDR-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties