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(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one

(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one structure

CAS No:
6939-71-5
Formula:
C8H12O2
Chemical Name:
(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
Synonyms:
(3ar,7as)-hexahydro-2-benzofuran-1(3h)-one;6939-71-5;(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one;cis-hexahydroisobenzofuran-1(3H)-one;NSC57636;cis-Hexahydrophthalide;1(3H)-Isobenzofuranone, hexahydro-, (3aR,7aS)-rel-;SCHEMBL6383420;CHEMBL2228340;DTXSID10288796;ZINC1688154;NSC-57636;cis-8-Oxabicyclo[4.3.0]nonan-9-one;(3aR,7aS)-Octahydroisobenzofuran-1-one;(1R,6S)-8-oxabicyclo[4.3.0]nonan-7-one;(1R, 6S)-8-oxabicyclo[4.3.0]nonan-7-one;(1R,6S)-(+)-8-oxabicyclo[4.3.0]nonan-7-one;(1R,6S)-(+)-8-oxabicydo[4.3.0]nonan-7-one;(1R,6S)-(+)-8-oxabicylo[4.3.0]nonan-7-one;(+)-(1r,6s)-cis-8-oxabicyclo[4.3.0]nonan-7-one

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(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Basic Attributes

Molecular Weight：

140.18 g/mol

Exact Mass：

140.083729621 g/mol

NSC Number：

57636

DSSTox ID：

DTXSID10288796

Characteristics

PSA：

26.3 Å²

Computed Properties

Molecular Weight:140.18
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Exact Mass:140.083729621
Monoisotopic Mass:140.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:153
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one

Basic Attributes
Characteristics
Computed Properties

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