Dimethyl pimelate

CAT: 0024-sc-255107BSize: 1 KgDry Ice: NoHazardous: No

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CAT#:0024-sc-255107BSize:1 Kg

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CAS Number

1732-08-7

Chemical Information

Dimethyl heptanedioate

CAS Number	1732-08-7
PubChem CID	74416
IUPAC Name	dimethyl heptanedioate
Molecular Formula	C9H16O4
Molecular Weight	188.22
XLogP	1.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	147

SMILES

COC(=O)CCCCCC(=O)OC

InChI

InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3

InChIKey

SHWINQXIGSEZAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1732-08-7

CID: 74416

Formula: C9H16O4

MW: 188.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	188.10485899
Monoisotopic Mass	188.10485899
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	147
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

Catalog	Name
sc-485196	Diethyl Pimelate
sc-269167	Ethyl hydrogen pimelate
sc-268930	Dimethyl 2,2-dimethyl-malonate
sc-496643	Dimethyl Isopropylidenemalonate
sc-326855A	Dimethyl difluoromalonate
sc-285438A	Dimethyl hexadecafluorosebacate
sc-223945	Dimethyl acetylsuccinate
sc-474838	Dimethyl Tetradecanedioate
sc-263093	Dimethyl pyridineboronate
sc-285440A	Dimethyl tetradecafluoroazelate