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113737-30-7

113737-30-7 | Propanoic acid, 2-hydroxy-, 1-naphthalenyl ester

CAS No: 113737-30-7 Catalog No: AG0009HR MDL No:

Product Description

Catalog Number:
AG0009HR
Chemical Name:
Propanoic acid, 2-hydroxy-, 1-naphthalenyl ester
CAS Number:
113737-30-7
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
naphthalen-1-yl 2-hydroxypropanoate
InChI:
InChI=1S/C13H12O3/c1-9(14)13(15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3
InChI Key:
ILIFPWMQVSLOAI-UHFFFAOYSA-N
SMILES:
O=C(C(O)C)Oc1cccc2c1cccc2

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:
1  
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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