AG0033TX

4521-22-6 | 4-(4-Methylphenyl)butanoic acid

AG0033TX

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CAS Number	4521-22-6
Catalog Number	AG0033TX(AGN-PC-0JLR9D)
Chemical Name	4-(4-Methylphenyl)butanoic acid
EC Number	224-848-8
IUPAC Name	4-(4-methylphenyl)butanoic acid
InChI	InChI=1S/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChI Key	IXWOVMRDYFFXGI-UHFFFAOYSA-N
MDL Number	MFCD00021786
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	57013
SMILES	CC1=CC=C(C=C1)CCCC(=O)O
Synonyms	4521-22-6, 4-(p-Tolyl)butanoic acid, 4-(p-Tolyl)butyric acid, 4-(4-Methylphenyl)butanoic acid, Benzenebutanoic acid, 4-methyl-, 4-p-Tolylbutyric acid, 4-(4-Methylphenyl)butyric acid, 4-(para-Tolyl)-butyric acid, 4-p-Tolylbutanoic acid, IXWOVMRDYFFXGI-UHFFFAOYSA-N, MFCD00021786, 4-(p-Tolyl)butanoicAcid, NSC57013, EINECS 224-848-8, AC1L2UVR, AC1Q2LWH, 4-(p-tolyl)-butyric acid, 4-Methylbenzenebutanoic acid, TimTec1_001579, SCHEMBL764952, ACMC-209k13, CTK7J3310, IXWOVMRDYFFXGI-UHFFFAOYSA-, ZINC73729, DTXSID20196434, 4-(4-methylphenyl) butanoic acid, HMS1538H17, 4-(4-methyl-phenyl)-butyric-acid, BCP10709, KS-00000CY0, 4-(4-Methylphenyl)butanoic acid #, 6234AB, ANW-30229, NSC-57013, AKOS000345140, CS-W002126, MCULE-9264700102, TRA0174789, VZ27809, NCGC00174281-01, AJ-10299, AK-92957, DS-17708, SC-68300, ST023317, SY030207, DB-051278, ST2405457, TC-118974, FT-0616854, T1727, EN300-43822, MFCD00021786 (97%), K-9009, I04-13491, Z449369106, InChI=1/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13), C11H14O2, CID78279, ACN-028754, C11-H14-O2, 4-(p-Tolyl)butyric acid, 98% - 1G 1g, 108966-71-8,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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