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75445-61-3 | 1,4-Naphthalenedione, 5-(phenylmethoxy)-
CAS No: 75445-61-3 Catalog No: AG005BIB MDL No:
Product Description
Catalog Number:
AG005BIB
Chemical Name:
1,4-Naphthalenedione, 5-(phenylmethoxy)-
CAS Number:
75445-61-3
Molecular Formula:
C17H12O3
Molecular Weight:
264.2754
IUPAC Name:
5-phenylmethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C17H12O3/c18-14-9-10-15(19)17-13(14)7-4-8-16(17)20-11-12-5-2-1-3-6-12/h1-10H,11H2
InChI Key:
ZUMQZEANHGSXGO-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1c(ccc2)OCc1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.28g/mol
Monoisotopic Mass:
264.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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