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115117-83-4 | 1-Naphthalenol, 6-methoxy-, 1-acetate
CAS No: 115117-83-4 Catalog No: AG000GAD MDL No:
Product Description
Catalog Number:
AG000GAD
Chemical Name:
1-Naphthalenol, 6-methoxy-, 1-acetate
CAS Number:
115117-83-4
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
acetic acid;6-methoxynaphthalen-1-ol
InChI:
InChI=1S/C11H10O2.C2H4O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;1-2(3)4/h2-7,12H,1H3;1H3,(H,3,4)
InChI Key:
NNSKNAWGRWOKTO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cccc2OC(=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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