Home Other Building Blocks 3-(1-hydroxynaphthalen-2-yl)propanoic acid

3-(1-hydroxynaphthalen-2-yl)propanoic acid

CAS No.:
91903-12-7
Catalog Number:
AG01ANBG
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
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Product Description
Catalog Number:
AG01ANBG
Chemical Name:
3-(1-hydroxynaphthalen-2-yl)propanoic acid
CAS Number:
91903-12-7
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD24479953
IUPAC Name:
3-(1-hydroxynaphthalen-2-yl)propanoic acid
InChI:
InChI=1S/C13H12O3/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13(10)16/h1-6,16H,7-8H2,(H,14,15)
InChI Key:
NPGXXEAJMZJFSK-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc2c(c1O)cccc2
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties