AG009FZF

13490-69-2 | (αS)-α-Isopropylbenzeneacetic acid

AG009FZF

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	13490-69-2
Catalog Number	AG009FZF(AGN-PC-0PKFPL)
Chemical Name	(αS)-α-Isopropylbenzeneacetic acid
IUPAC Name	(2S)-3-methyl-2-phenylbutanoic acid
InChI	InChI=1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)/t10-/m0/s1
InChI Key	HDLQGISFYDYWFJ-JTQLQIEISA-N
MDL Number	MFCD00167435
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	CC(C)[C@@H](C1=CC=CC=C1)C(O)=O
Synonyms	(S)-3-methyl-2-phenylbutanoic acid, 13490-69-2, (alphaS)-alpha-(1-Methylethyl)benzeneacetic acid, (S)-3-METHYL-2-PHENYL-BUTYRIC ACID, (2S)-3-methyl-2-phenylbutanoic acid, AK162327, AC1OHAHB, SCHEMBL5158960, Benzeneacetic acid, alpha-(1-methylethyl)-, (alphaS)-, CTK8E2758, KS-00000CVY, HDLQGISFYDYWFJ-JTQLQIEISA-N, ZINC4429673, (S)-3-Methyl-2-phenylbutanoicAcid, 9171AH, FCH840022, MFCD00167435, AKOS006272172, AKOS015841537, DS-7765, (S)-(+)-2-phenyl 3-methylbutyric acid, AC-29622, AJ-51118, (alphaS)-alpha-Isopropylbenzeneacetic acid, AX8161966, TC-062044, ST24036150, Z-5469, 490M692, S01-0835, alpha-Isopropylphenylacetic acid, C11H14O2, CID7233172, 897956-98-8,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number