AG001ICE

14377-19-6 | 2-(4-Butylphenyl)acetic acid

AG001ICE

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CAS Number	14377-19-6
Catalog Number	AG001ICE(AGN-PC-0K8I2K)
Chemical Name	2-(4-Butylphenyl)acetic acid
IUPAC Name	2-(4-butylphenyl)acetic acid
InChI	InChI=1S/C12H16O2/c1-2-3-4-10-5-7-11(8-6-10)9-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChI Key	ROVMLIKBAVUPPB-UHFFFAOYSA-N
MDL Number	MFCD00982001
Molecular Formula	C12H16O2
Molecular Weight	192.2542
SMILES	O=C(O)CC1=CC=C(CCCC)C=C1
Synonyms	(4-butylphenyl)acetic acid, 14377-19-6, 2-(4-butylphenyl)acetic acid, 4-Butylphenylacetic acid, MLS000058616, AC1LVUQM, ACMC-209crd, 4-Butylbenzeneacetic acid, ChemDiv3_000225, AC1Q2VF5, Benzeneacetic acid,4-butyl-, Benzeneacetic acid, 4-butyl-, SCHEMBL1445637, CHEMBL1407764, [4-(n-butyl)phenyl]acetic acid, CTK4C3801, DTXSID50364826, ROVMLIKBAVUPPB-UHFFFAOYSA-N, HMS1473K05, HMS2381F21, ZINC2022909, 7062AA, ANW-20807, MFCD00982001, AKOS001076558, MCULE-6585663085, IDI1_019543, NCGC00039084-02, AJ-32796, AS-45861, SC-60001, SMR000068119, TC-109552, EU-0066771, FT-0734400, EN300-12338, B-7251, SR-01000388882, SR-01000388882-1, F0345-3112, 2-(4-butylphenyl)acetate, 2-(4-Butylphenyl)aceticacid, C12H16O2, CID1712193,

Complexity	169
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	5
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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