CAS: 87-41-2
名称: 3H-2-benzofuran-1-one
SMILES:
C1C2=CC=CC=C2C(=O)O1Molecular Processing
Molecular formula
C8H6O2
Molecular weight
134.13
Exact mass
134.0368
XLogP
1.36
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
35.56
Supplementary Information
InChIKey: WNZQDUSMALZDQF-UHFFFAOYSA-N
同義語
PHTHALIDE87-41-21(3H)-Isobenzofuranone1-Phthalanone2-Benzofuran-1(3H)-onePhthalolactone3H-2-benzofuran-1-one3H-isobenzofuran-1-one1,3-dihydro-2-benzofuran-1-one2-Hydroxymethylbenzoic acid, gamma-lactoneDTXSID0052594CHEBI:380858VV922U86JNSC-1469DTXCID7031167FEMA NO. 4195RefChem:173991201-744-01(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-4,5,6,7-Tetrachloro-1(3H)-isobenzofuranoneBayer 96610KF-32RabcideIsobenzofuran-1(3H)-oneIsobenzofuranone1-IsobenzofuranonePhthalanoneMFCD00005906Butylphthalide Impurity 42-Hydroxymethylbenzoic acid, .gamma.-lactone
199 件の反応に参加→