Perospirone Impurity 5

CAT: 1596-AR-P31006-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31006-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

13149-00-3

Molecular Formula

C8H10O3

Molecular Weight

154.17

API Name

Perospirone

Chemical Information

Hexahydrophthalic anhydride, cis-

CAS Number	13149-00-3
PubChem CID	641660
IUPAC Name	(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Molecular Formula	C8H10O3
Molecular Weight	154.16
XLogP	1.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	187

SMILES

C1CC[C@H]2[C@@H](C1)C(=O)OC2=O

InChI

InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+

InChIKey

MUTGBJKUEZFXGO-OLQVQODUSA-N

Chemical Structure

2D Structure

CAS: 13149-00-3

CID: 641660

Formula: C8H10O3

MW: 154.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.16
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	154.062994177
Monoisotopic Mass	154.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes