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81653-20-5 | 2,7-Naphthalenediol,1-(4-morpholinylmethyl)-
CAS No: 81653-20-5 Catalog No: AG005849 MDL No:
Product Description
Catalog Number:
AG005849
Chemical Name:
2,7-Naphthalenediol,1-(4-morpholinylmethyl)-
CAS Number:
81653-20-5
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
1-(morpholin-4-ylmethyl)naphthalene-2,7-diol
InChI:
InChI=1S/C15H17NO3/c17-12-3-1-11-2-4-15(18)14(13(11)9-12)10-16-5-7-19-8-6-16/h1-4,9,17-18H,5-8,10H2
InChI Key:
OXSKDKWXVKZOAT-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(CN1CCOCC1)c(cc2)O
EC Number:
279-792-7
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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