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21658-35-5 | 3-(Naphthalen-2-yl);propanoic acid
CAS No: 21658-35-5 Catalog No: AG003I19 MDL No:MFCD00092742
Product Description
Catalog Number:
AG003I19
Chemical Name:
3-(Naphthalen-2-yl);propanoic acid
CAS Number:
21658-35-5
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
MDL Number:
MFCD00092742
IUPAC Name:
3-naphthalen-2-ylpropanoic acid
InChI:
InChI=1S/C13H12O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,6,8H2,(H,14,15)
InChI Key:
IZOYTDIICIICBE-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc2c(c1)cccc2
NSC Number:
43156
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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