1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-

HCID 6436619

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Basic information

CAS: 56014-69-8
Standard SMILES: CC(C)/C=C1\OC(=O)c2ccccc21
InChIKey: LYSNVWBBICAAMS-XFFZJAGNSA-N
Molecular formula: C12H12O2
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.08372962

Names & identifiers

Preferred name: 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-
IUPAC: (3Z)-3-(2-methylpropylidene)-2-benzofuran-1-one

Names & synonyms

56014-87-01(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-3-(2-Methylpropylidene)isobenzofuran-1(3H)-one2-Methylpropylidenephthalide (E)88542-70-5(E)-3-Isobutylidenephthalide56014-69-8EINECS 259-944-9Isobutylidene phthalide3-(2-Methylpropylidene)-1(3H)-isobenzofuranone1(3H)-Isobenzofuranone,3-(2-methylpropylidene)-Phthalide, 3-isobutylidene-

Show more names

V2GN2KW65T3-Isobutylidene phthalide, cis-DTXSID708861913-Isobutylidene-3H-isobenzofuran-1-oneNS001233561(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-(Z)-3-(2-methylpropylidene)isobenzofuran-1(3H)-one(3Z)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone

Database identifiers

CAS: 56014-69-8、56014-87-0、88542-70-5
PubChem CID: 6436619
DTXSID: DTXSID70886191
UNII: V2GN2KW65T
EC Number: 259-944-9、259-945-4、289-423-1
Nikkaji: J296.543G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 265

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 2 items

1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3E)-: INACTIVE

1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-: INACTIVE

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