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10042-71-4 | Acetic acid, 2-(2-naphthalenyloxy)-, sodium salt (1:1)
CAS No: 10042-71-4 Catalog No: AG0001YE MDL No:MFCD00069547
Product Description
Catalog Number:
AG0001YE
Chemical Name:
Acetic acid, 2-(2-naphthalenyloxy)-, sodium salt (1:1)
CAS Number:
10042-71-4
Molecular Formula:
C12H9NaO3
Molecular Weight:
224.1878
MDL Number:
MFCD00069547
IUPAC Name:
sodium;2-naphthalen-2-yloxyacetate
InChI:
InChI=1S/C12H10O3.Na/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChI Key:
OATPCHCCLFKLTN-UHFFFAOYSA-M
SMILES:
[O-]C(=O)COc1ccc2c(c1)cccc2.[Na+]
EC Number:
233-130-3
UNII:
F4BX97TE8M
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.191g/mol
Monoisotopic Mass:
224.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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