AG00DDWA

5465-28-1 | 2-Phenyl-2-ethylbutyric acid

AG00DDWA

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	5465-28-1
Catalog Number	AG00DDWA(AGN-PC-0SHQU5)
Chemical Name	2-Phenyl-2-ethylbutyric acid
EC Number	226-767-3
IUPAC Name	2-ethyl-2-phenylbutanoic acid
InChI	InChI=1S/C12H16O2/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14)
InChI Key	PYXQBGGQMBEYLO-UHFFFAOYSA-N
MDL Number	MFCD00075036
Molecular Formula	C12H16O2
Molecular Weight	192.2542
NSC Number	28953
SMILES	CCC(C1=CC=CC=C1)(CC)C(O)=O
Synonyms	5465-28-1, 2-ethyl-2-phenylbutanoic acid, 2-Phenyl-2-ethyl butyric acid, 2-Ethyl-2-phenyl-butyric acid, 2-phenyl-2-ethylbutyric acid, 2-Ethyl-2-phenylbutyric acid, NSC28953, EINECS 226-767-3, Phenyldiathylessigsaure, AC1Q5RTO, EC 226-767-3, AC1L2XQ3, 2-Ethyl-2-phenyl-butyricacid, SCHEMBL504013, CTK5A2093, Benzeneacetic acid, a,a-diethyl-, DTXSID70203107, ZINC1651857, alpha,alpha-Diethylbenzeneacetic acid, MFCD00075036, NSC-28953, AKOS009210255, MCULE-9915843008, RP25188, Benzeneacetic acid, alpha,alpha-diethyl-, AC-11851, AJ-28801, SC-89259, U574, DB-021489, FT-0635744, Z-5169, 465P281, J-510250, Z1276447280, 2-Phenyl-2-ethylbutyricacid, 2-Cyclopropyl-1,3-dimethylbenzene, C12H16O2, CID79594, AR-1E1433, ACN-044952, C12-H16-O2, 56405-86-8,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H319
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number