AG001TI3

16286-86-5 | Cyclobutanecarboxylic acid, 3-hydroxy-3-methyl-

AG001TI3

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CAS Number	16286-86-5
Catalog Number	AG001TI3(AGN-PC-0WA8OU)
Chemical Name	Cyclobutanecarboxylic acid, 3-hydroxy-3-methyl-
IUPAC Name	3-hydroxy-3-methylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C6H10O3/c1-6(9)2-4(3-6)5(7)8/h4,9H,2-3H2,1H3,(H,7,8)
InChI Key	GJFHHQJYZGSYSR-UHFFFAOYSA-N
MDL Number	MFCD13659411
Molecular Formula	C6H10O3
Molecular Weight	130.1418
SMILES	CC1(O)CC(C1)C(O)=O
Synonyms	3-Hydroxy-3-methylcyclobutanecarboxylic acid, 16286-86-5, cis-3-Hydroxy-3-methylcyclobutanecarboxylic acid, trans-3-Hydroxy-3-methylcyclobutanecarboxylic acid, 1384855-41-7, 1314970-28-9, 3-HYDROXY-3-METHYLCYCLOBUTANE-1-CARBOXYLIC ACID, SCHEMBL15114592, SCHEMBL15114593, SCHEMBL17673472, trans-3-Hydroxy-3-Methylc..., CTK8B4683, DTXSID00717722, ANW-45883, MFCD13659411, MFCD23106032, MFCD23106033, ZINC77028573, AKOS006384797, AKOS006386416, AKOS025290027, ZINC101787988, ZINC103536474, 3-Hydroxy-3-methylcyclobutanecarboxylic, PB15169, PB35306, PB36576, SB20745, SB20746, KS-0000072S, KS-000007J9, AK172087, AS-30890, AS-34715, AS-51802, AB0022640, AJ-122448, TC-134628, CS-0045466, CS-0051341, ST24022903, W3550, 3-Hydroxy-3-methyl-cyclobutanecarboxylic acid, Q-2975, Q-3086, Q-4255, Cyclobutanecarboxylic acid, 3-hydroxy-3-methyl-, (1r,3s)-3-hydroxy-3-methylcyclobutane-1-carboxylic, (1s,3r)-3-hydroxy-3-methylcyclobutane-1-carboxylic, cis-3-Hydroxy-3-methylcyclobutane-1-carboxylic acid, Cyclobutanecarboxylic acid, 3-hydroxy-3-methyl-, cis-, trans-3-Hydroxy-3-methylcyclobutane-1-carboxylic acid, Z1741979154, ACID, C6H10O3,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	130.143g/mol
Monoisotopic Mass	130.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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