AG005ENB

75056-97-2 | 4-Hydroxy-2,6-dimethylbenzoic acid

AG005ENB

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CAS Number	75056-97-2
Catalog Number	AG005ENB(AGN-PC-0K6A4H)
Chemical Name	4-Hydroxy-2,6-dimethylbenzoic acid
IUPAC Name	4-hydroxy-2,6-dimethylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
InChI Key	FFUMDYCIOSWRLV-UHFFFAOYSA-N
MDL Number	MFCD00963146
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O=C(O)C1=C(C)C=C(O)C=C1C
Synonyms	4-hydroxy-2,6-dimethylbenzoic acid, 75056-97-2, 2,6-Dimethyl-4-hydroxybenzoic acid, Benzoic acid, 4-hydroxy-2,6-dimethyl-, 4-hydroxy-2,6-dimethylbenzoicacid, zlchem 643, PubChem18280, AC1LTT9X, KSC496E6T, SCHEMBL596800, CTK3J6269, DTXSID80363847, ZLD0093, FFUMDYCIOSWRLV-UHFFFAOYSA-N, ACT06025, ZINC4202921, ZX-AT011253, ANW-47333, CH-852, CL8015, FCH920757, MFCD00963146, OR3556, SBB069101, 4-hydroxy-2,6-dimethyl-benzoic acid, AKOS006346476, AM82922, RP22888, RTC-060865, VZ29159, AC-24750, AJ-48542, AK-36294, AN-36999, AS-45986, BR-36294, CC-19427, SC-16360, AB0066115, AX8097621, DB-020234, ST2405819, TC-060865, A9581, CS-0069582, FT-0641551, J3.626.600G, KS-00001181, H30350, S-6025, 056H972, C-29285, J-515475, S04-0082, CB10467, CID1514302, AE-562/43286949,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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