CAS: 13149-00-3
الاسم: (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
SMILES:
C1CCC2C(C1)C(=O)OC2=OMolecular Processing
Molecular formula
C8H10O3
Molecular weight
154.16
Exact mass
154.063
XLogP
0.88
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
36.55
Supplementary Information
InChIKey: MUTGBJKUEZFXGO-OLQVQODUSA-N
مرادفات
13149-00-3cis-1,2-Cyclohexanedicarboxylic anhydridecis-Hexahydrophthalic anhydride1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-Hexahydrophthalic anhydride, cis-cis-Cyclohexane-1,2-dicarboxylic anhydrideB52Z7TNV871,3-Isobenzofurandione, hexahydro-, cis-EINECS 236-086-3AI3-059841,2-Cyclohexanedicarboxylic anhydride, cis-cyclohexanedicarboxylic anhydrideDTXSID001026621NSC-8622cis-1,2-cyclohexanecarboxylic acid anhydrideRefChem:786173DTXCID4015107671,3Isobenzofurandione, hexahydro, cis236-086-3cis-Hexahydroisobenzofuran-1,3-dione(3aR,7AS)-hexahydroisobenzofuran-1,3-dione(3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dioneMFCD00005926cis-1,2-cyclohexanedicarboxylic acid anhydridecis-cyclohexane-1,2-dicarboxylic acid anhydrideUNII-B52Z7TNV87(3aR,7aS)-hexahydro-2-benzofuran-1,3-dione(3aR,7aS)-octahydro-2-benzofuran-1,3-dioneSCHEMBL34170
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