AG003I20

42287-87-6 | 3-(3,5-Dimethylphenyl)propanoic acid

AG003I20

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CAS Number	42287-87-6
Catalog Number	AG003I20(AGN-PC-0WA79P)
Chemical Name	3-(3,5-Dimethylphenyl)propanoic acid
IUPAC Name	3-(3,5-dimethylphenyl)propanoic acid
InChI	InChI=1S/C11H14O2/c1-8-5-9(2)7-10(6-8)3-4-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
InChI Key	CCPNDKXTGJGIIV-UHFFFAOYSA-N
MDL Number	MFCD09055207
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(O)CCC1=CC(C)=CC(C)=C1
Synonyms	3-(3,5-DIMETHYLPHENYL)PROPANOIC ACID, 42287-87-6, SCHEMBL5846204, CTK4I5984, DTXSID50591559, 5837AB, ANW-73210, MFCD09055207, ZINC19088270, AKOS005266065, FS-5004, MB06914, MCULE-3592333652, 3-(3',5'-Dimethylphenyl)propionic acid, AJ-70943, AK105746, DA-18698, TC-066460, CS-0061255, FT-0731512, Y-5044, 3-(3,5-Dimethylphenyl)propanoic acid, AldrichCPR, 3- propanoicacid, (2,2-dimethylpropyl)hydrazine, C11H14O2, 3-(3,5-Dimethylphenyl)propanoicacid, ACN-031363, BENZENEPROPANOIC ACID, 3,5-DIMETHYL-,

Complexity	167
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	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

Lot Number