2-Adamantanyl Acrylate - CAS 128756-71-8

Catalog:	BB006930
Product Name:	2-Adamantanyl Acrylate
CAS:	128756-71-8
Synonyms:	2-propenoic acid 2-adamantyl ester; 2-adamantyl prop-2-enoate

Technical Data

Patents

Computed Properties

IUPAC Name:	2-adamantyl prop-2-enoate
Description:	2-Adamantanyl Acrylate (CAS# 128756-71-8 ) is a useful research chemical.
Molecular Weight:	206.28
Molecular Formula:	C13H18O2
Canonical SMILES:	C=CC(=O)OC1C2CC3CC(C2)CC1C3
InChI:	InChI=1S/C13H18O2/c1-2-12(14)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h2,8-11,13H,1,3-7H2
InChI Key:	NCJGJDNWSHATQH-UHFFFAOYSA-N
Boiling Point:	279.3 °C at 760 mmHg
Density:	1.09 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.54030

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Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.130679813
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.130679813
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1