Monooctyl succinate 25mg

CAT: 0628-A19112-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A19112-25Size:25 mg

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CAS Number

74295-86-6

Chemical Information

Butanedioic acid, monooctyl ester

CAS Number	74295-86-6
PubChem CID	22145095
IUPAC Name	4-octoxy-4-oxobutanoate
Molecular Formula	C12H21O4-
Molecular Weight	229.29
XLogP	3.5
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	16
Formal Charge	-1
Complexity	196

SMILES

CCCCCCCCOC(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H22O4/c1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14/h2-10H2,1H3,(H,13,14)/p-1

InChIKey

CKNYEUXAXWTAPK-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 74295-86-6

CID: 22145095

Formula: C12H21O4-

MW: 229.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.29
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	229.14398415
Monoisotopic Mass	229.14398415
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	16
Formal Charge	-1
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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