Dipentaerythritol

CAT: 0024-sc-234773Size: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234773Size:500 g

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CAS Number

126-58-9

Chemical Information

Dipentaerythritol

CAS Number	126-58-9
PubChem CID	31352
IUPAC Name	2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Molecular Formula	C10H22O7
Molecular Weight	254.28
XLogP	-3.8
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	17
Formal Charge	0
Complexity	153

SMILES

C(C(CO)(CO)COCC(CO)(CO)CO)O

InChI

InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2

InChIKey

TXBCBTDQIULDIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126-58-9

CID: 31352

Formula: C10H22O7

MW: 254.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.28
XLogP3	-3.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	254.13655304
Monoisotopic Mass	254.13655304
Topological Polar Surface Area	131 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	153
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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