AG00DIEM

52804-26-9 | 2-(4-(Adamantan-1-yl)phenoxy)acetic acid

AG00DIEM

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CAS Number	52804-26-9
Catalog Number	AG00DIEM(AGN-PC-0JU00J)
Chemical Name	2-(4-(Adamantan-1-yl)phenoxy)acetic acid
IUPAC Name	2-[4-(1-adamantyl)phenoxy]acetic acid
InChI	InChI=1S/C18H22O3/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,20)
InChI Key	WIWCHWGNONICJI-UHFFFAOYSA-N
MDL Number	MFCD00168197
Molecular Formula	C18H22O3
Molecular Weight	286.3655
SMILES	O=C(O)COC1=CC=C(C23CC4CC(C3)CC(C4)C2)C=C1
Synonyms	[4-(1-Adamantyl)phenoxy]acetic acid, 52804-26-9, (4-Adamantan-1-yl-phenoxy)-acetic acid, 2-(4-(adamantan-1-yl)phenoxy)acetic acid, WIWCHWGNONICJI-UHFFFAOYSA-N, 2-(4-adamantanylphenoxy)acetic acid, 2-[4-(adamantan-1-yl)phenoxy]acetic acid, (4-(1-ADAMANTYL)PHENOXY)ACETIC ACID, AC1LCDTK, BAS 00285042, Oprea1_157400, Oprea1_723072, CBDivE_002637, SCHEMBL421046, AC1Q765V, DTXSID20347747, p-(1-adamantyl)phenoxyacetic acid, 2-(4-Adamantylphenoxy)acetic acid, ALBB-023309, ZINC4012923, ZX-AN021823, ZX-CM015216, 4-adamantan-1-yl-phenoxyacetic acid, MFCD00168197, SBB056606, [4-(Adamantyl-1)phenoxy]acetic acid, 4-adamantan-1-yl-phenoxy acetic acid, AKOS000125414, (4-adamantan-1-yl-phenoxy)acetic acid, [4-(1-adamantyl)-phenoxy]acetic acid, CA-1133, MCULE-4222366304, 1-[4-(Carboxymethoxy)phenyl]adamantane, 2-[4-(1-adamantyl)phenoxy]acetic acid, ACM52804269, (4-Adamantan-1-yl-phenoxy) acetic acid, [4-(1-Adamantyl)phenoxy]acetic acid #, AK194317, DS-10423, ST071038, 2-(4-Adamantan-1-yl-phenoxy)-acetic acid, CS-0063192, W-6584, 2-(4-((3r,5r,7r)-Adamantan-1-yl)phenoxy)acetic acid, Acetic acid, (4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)-, acetic acid, (4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenoxy)-, CID625381,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.157g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	286.371g/mol
Monoisotopic Mass	286.157g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number