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77060-74-3 | Methyl 1,4-dihydroxy-2-naphthoate
CAS No: 77060-74-3 Catalog No: AG005EFX MDL No:MFCD00573066
Product Description
Catalog Number:
AG005EFX
Chemical Name:
Methyl 1,4-dihydroxy-2-naphthoate
CAS Number:
77060-74-3
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD00573066
IUPAC Name:
methyl 1,4-dihydroxynaphthalene-2-carboxylate
InChI:
InChI=1S/C12H10O4/c1-16-12(15)9-6-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,13-14H,1H3
InChI Key:
CRMAPJSLKLVFBT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(c1O)cccc2
Properties
Complexity:
266
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:
2
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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