AG003BA6

4619-20-9 | 4-Oxo-4-(p-tolyl)butanoic acid

AG003BA6

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	4619-20-9
Catalog Number	AG003BA6(AGN-PC-0RUCJC)
Chemical Name	4-Oxo-4-(p-tolyl)butanoic acid
IUPAC Name	4-(4-methylphenyl)-4-oxobutanoic acid
InChI	InChI=1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChI Key	OEEUWZITKKSXAZ-UHFFFAOYSA-N
MDL Number	MFCD00020541
Molecular Formula	C11H12O3
Molecular Weight	192.2112
NSC Number	54788
SMILES	O=C(O)CCC(C1=CC=C(C)C=C1)=O
Synonyms	4619-20-9, 3-(4-Methylbenzoyl)propionic acid, 4-Oxo-4-(p-tolyl)butanoic acid, 4-(4-Methylphenyl)-4-oxobutanoic acid, 4-(4-Methylphenyl)-4-oxobutyric acid, 4-Oxo-4-(4-tolyl)butyric acid, 4-oxo-4-p-tolylbutanoic acid, OEEUWZITKKSXAZ-UHFFFAOYSA-N, MFCD00020541, 3-(4-Methylbenzoyl)-propionic Acid, NSC54788, ACMC-1AOOH, Benzenebutanoic acid, 4-methyl-gamma-oxo-, Maybridge1_000077, AC1L6D3O, AC1Q2JO5, AC1Q5DV4, MixCom1_000143, 3-(p-Toluoyl)propionic acid, KSC495I6J, MLS000571116, 4-Oxo-4-p-tolylbutyric acid, SCHEMBL822930, CHEMBL1483046, CTK3J5464, ZINC98250, 4-(p-Tolyl)-4-oxobutyric Acid, 4-Oxo-4-(p-tolyl)butyric Acid, DTXSID00288225, 3-(4-methylbenzoyl)propanoic acid, ALBB-020398, KS-00000GB2, 4-Oxo-4-(para-tolyl)-butyric acid, ANW-30415, BBL000484, HTS001418, NSC-54788, SBB040537, STK202164, AKOS000199954, BS-4059, CCG-200196, MCULE-9689572088, RP25172, 4-(4-methyl-phenyl)-4-oxobutanoic acid, AC-16655, AJ-11064, AK-84377, SC-45842, SMR000150690, SY032321, 4-(4-Methylphenyl)-4-oxobutanoic acid #, AB0063174, DB-051360, RT-002533, ST4119834, TL8003200, BB 0218477, FT-0613691, M1377, ST24029197, T7872, 4-(4-Methylphenyl)-4-oxobutyric acid, 98%, MFCD00020541 (98%), AF-962/00506035, I01-1659, J-510732, A3859/0163894, InChI=1/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14, 2-iodophenyl acetate, C11H12O3, AR-1F6380, CID244162, ACN-029071, C11 H12 O3, 5435-95-0,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number