AG0022OK

1811-85-4 | Benzenepropanoic acid, 2,4-dimethyl-

AG0022OK

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1811-85-4
Catalog Number	AG0022OK(AGN-PC-0L1C0I)
Chemical Name	Benzenepropanoic acid, 2,4-dimethyl-
IUPAC Name	3-(2,4-dimethylphenyl)propanoic acid
InChI	InChI=1S/C11H14O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChI Key	KNPUGELUZIPXCW-UHFFFAOYSA-N
MDL Number	MFCD00796498
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(O)CCC1=CC=C(C)C=C1C
Synonyms	3-(2,4-dimethylphenyl)propanoic Acid, 1811-85-4, 3-(2,4-DIMETHYLPHENYL)PROPIONIC ACID, Benzenepropanoic acid, 2,4-dimethyl-, AC1MZC5S, AC1Q2HYZ, AC1Q2LWC, SCHEMBL324789, CTK4D7818, DTXSID70397631, KNPUGELUZIPXCW-UHFFFAOYSA-N, ZINC404964, 6080AD, Benzenepropanoic acid,2,4-dimethyl-, MFCD00796498, AKOS000206695, MCULE-6418950097, 3-(2,4-Dimethylphenyl)-propionic Acid, 3-(2,4-dimethyl-phenyl)-propionic acid, NCGC00337408-01, 3-(2',4'-Dimethylphenyl)propionic acid, DB-021576, TR-008325, FT-0667521, ST50411428, EN300-25325, C-5838, AB01330448-02, I04-4507, Z208155046, C11H14O2, ACN-042134, CID3870217,

Complexity	177
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number