AG001CU0

1408075-28-4 | 3,3-Dimethoxy-1-methylcyclobutanecarboxylic acid

AG001CU0

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CAS Number	1408075-28-4
Catalog Number	AG001CU0(AGN-PC-0WBS3J)
Chemical Name	3,3-Dimethoxy-1-methylcyclobutanecarboxylic acid
IUPAC Name	3,3-dimethoxy-1-methylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C8H14O4/c1-7(6(9)10)4-8(5-7,11-2)12-3/h4-5H2,1-3H3,(H,9,10)
InChI Key	IFTGAPGNKSGXOF-UHFFFAOYSA-N
MDL Number	MFCD23106030
Molecular Formula	C8H14O4
Molecular Weight	174.1944
SMILES	COC1(CC(C1)(C(=O)O)C)OC
Synonyms	1408075-28-4, 3,3-dimethoxy-1-methylcyclobutanecarboxylic acid, 3,3-Dimethoxy-1-methyl-cyclobutanecarboxylic acid, 3,3-dimethoxy-1-methylcyclobutane-1-carboxylic acid, MFCD23106030, ZINC95743341, AKOS025290331, FCH2311230, PB38223, SB20743, KS-000007J7, AK172547, AS-34713, ST1251332, CS-0051627, Q-2866, Cyclobutanecarboxylic acid, 3,3-dimethoxy-1-methyl-, 3,3-Dimethoxy-1-methyl-cyclobutanecarboxylic acid, AldrichCPR,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.196g/mol
Monoisotopic Mass	174.089g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P301+P312+P330
UN Code	\N

Certificate of Analysis

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