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101637-69-8

101637-69-8 | 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester

CAS No: 101637-69-8 Catalog No: AG00050O MDL No:

Product Description

Catalog Number:
AG00050O
Chemical Name:
2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester
CAS Number:
101637-69-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
ethyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
InChI:
InChI=1S/C13H16O3/c1-2-16-13(15)11-4-3-10-8-12(14)6-5-9(10)7-11/h5-6,8,11,14H,2-4,7H2,1H3
InChI Key:
DMNMLCQJTXQYMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCc2c(C1)ccc(c2)O

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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