CAS: 33440-68-5
이름: 2-benzylnaphthalene-1,4-dione
SMILES:
C1=CC=C(C=C1)CC2=CC(=O)C3=CC=CC=C3C2=OMolecular Processing
Molecular formula
C17H12O2
Molecular weight
248.28
Exact mass
248.0837
XLogP
3.23
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
73.33
Supplementary Information
InChIKey: NRKPHAPQMRHQNY-UHFFFAOYSA-N
동의어
33440-68-51,4-Naphthalenedione, 2-(phenylmethyl)-2-benzyl-1,4-naphthoquinone2-(Phenylmethyl)-1,4-naphthalenedioneCHEMBL1220582-benzylnaphthalene-1,4-dione2-Benzyl-[1,4]naphthoquinoneSCHEMBL9588537DTXSID80187085NRKPHAPQMRHQNY-UHFFFAOYSA-NBDBM50012696DA-06749
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