AG003INN

2215-21-6 | 2-Hydroxy-3,5-diisopropylbenzoic acid

AG003INN

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CAS Number	2215-21-6
Catalog Number	AG003INN(AGN-PC-0JKLEY)
Chemical Name	2-Hydroxy-3,5-diisopropylbenzoic acid
EC Number	218-677-8
IUPAC Name	2-hydroxy-3,5-di(propan-2-yl)benzoic acid
InChI	InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)
InChI Key	XUFUYOGWFZSHGE-UHFFFAOYSA-N
MDL Number	MFCD00008884
Molecular Formula	C13H18O3
Molecular Weight	222.2802
SMILES	OC1=C(C(C)C)C=C(C(C)C)C=C1C(O)=O
Synonyms	3,5-diisoprophylsalicylate, 3,5-diisopropylsalicylic acid, 3,5-diisopropylsalicylic acid, sodium salt, DIPS, 3,5-Diisopropylsalicylic acid, 2215-21-6, 2-Hydroxy-3,5-diisopropylbenzoic acid, 3,5-Diisopropylsalicylate, Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-, 2-hydroxy-3,5-di(propan-2-yl)benzoic acid, XUFUYOGWFZSHGE-UHFFFAOYSA-N, MFCD00008884, 2-hydroxy-3,5-bis(propan-2-yl)benzoic acid, CCRIS 3303, EINECS 218-677-8, ACMC-20ancn, AC1L1JRV, Oprea1_682060, SCHEMBL212716, DTXSID1062257, CTK4E8771, 3,5-Bis(isopropyl)salicylic acid, ZINC388225, STK427549, AKOS001434142, 3,5-Diisopropyl-2-hydroxybenzoic acid, MCULE-6008855411, NE21891, 2-hydroxy-3,5-diisopropyl benzoic acid, NCGC00334155-01, 2-Hydroxy-3,5-diisopropylbenzoic acid #, 3,5-di-iso-Propyl-2-hydroxybenzoic acid, 3,5-bis(methylethyl)-2-hydroxybenzoic acid, 3,5-Bis(prop-2-yl)-2-hydroxybenzoic acid, DB-045818, LS-187130, TC-169934, FT-0614635, ST50308542, 3,5-Diisopropyl-2-hydroxybenzoic acid, 98%, AB01326885-02, Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, J-014553, I01-18119, InChI=1/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16, CID30543, ACN-041753, C13-H18-O3, 3,5-Diisopropylsalicylic acid, 98% - 25G 25g,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.284g/mol
Monoisotopic Mass	222.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number