AG0070E2

216581-76-9 | 3-Hydroxyadamantan-1-yl acrylate

AG0070E2

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CAS Number	216581-76-9
Catalog Number	AG0070E2(AGN-PC-009Z3D)
Chemical Name	3-Hydroxyadamantan-1-yl acrylate
IUPAC Name	(3-hydroxy-1-adamantyl) prop-2-enoate
InChI	InChI=1S/C13H18O3/c1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13/h2,9-10,15H,1,3-8H2
InChI Key	DKDKCSYKDZNMMA-UHFFFAOYSA-N
MDL Number	MFCD13194929
Molecular Formula	C13H18O3
Molecular Weight	222.2802
SMILES	OC12CC3CC(C1)CC(C3)(C2)OC(=O)C=C
Synonyms	3-Hydroxyadamantan-1-yl acrylate, 216581-76-9, 3-HYDROXY-1-ADAMANTYL ACRYLATE, HADMA, 1-Acryloyloxy-3-hydroxyadamantane, (3-Hydroxy-1-adamantyl) prop-2-enoate, SCHEMBL42912, 3-hydroxy-1-adamantylacrylate, SCHEMBL18714057, CTK4E7431, DKDKCSYKDZNMMA-UHFFFAOYSA-N, ZX-AT013569, ANW-65117, CH-779, AKOS016005144, 3-hydroxyadamantan-1-yl prop-2-enoate, OR41029, Acrylic Acid 3-Hydroxy-1-adamantyl Ester, AK103096, AX8234635, TC-153862, 4CH-024159, A2859, 3-Hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl prop-2-enoate, 2-Propenoic acid,3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester, 1,3-Adamantanediol monoacrylate, ACN-040240,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.284g/mol
Monoisotopic Mass	222.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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