1,6-Hexanediol diacrylate

CAT: 0024-sc-223110Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223110Size:100 g

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CAS Number

13048-33-4

Chemical Information

1,6-Hexanediol diacrylate

1,6-hexanediol diacrylate is a clear yellow liquid. (NTP, 1992)

CAS Number	13048-33-4
PubChem CID	25644
IUPAC Name	6-prop-2-enoyloxyhexyl prop-2-enoate
Molecular Formula	C12H18O4
Molecular Weight	226.27
XLogP	2.6
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	16
Formal Charge	0
Complexity	219

SMILES

C=CC(=O)OCCCCCCOC(=O)C=C

InChI

InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2

InChIKey

FIHBHSQYSYVZQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13048-33-4

CID: 25644

Formula: C12H18O4

MW: 226.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.27
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	226.12050905
Monoisotopic Mass	226.12050905
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	219
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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