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158905-49-8 | Carbonic acid, 4-hydroxy-2-naphthalenyl methyl ester
CAS No: 158905-49-8 Catalog No: AG001QZJ MDL No:
Product Description
Catalog Number:
AG001QZJ
Chemical Name:
Carbonic acid, 4-hydroxy-2-naphthalenyl methyl ester
CAS Number:
158905-49-8
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
(4-hydroxynaphthalen-2-yl) methyl carbonate
InChI:
InChI=1S/C12H10O4/c1-15-12(14)16-9-6-8-4-2-3-5-10(8)11(13)7-9/h2-7,13H,1H3
InChI Key:
WYNRDIZMGBMWNK-UHFFFAOYSA-N
SMILES:
COC(=O)Oc1cc(O)c2c(c1)cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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