AG00BYHJ

332187-56-1 | Cyclobutanecarboxylic acid, 3,3-dimethoxy- (9CI)

AG00BYHJ

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CAS Number	332187-56-1
Catalog Number	AG00BYHJ(AGN-PC-03HY1Z)
Chemical Name	Cyclobutanecarboxylic acid, 3,3-dimethoxy- (9CI)
IUPAC Name	3,3-dimethoxycyclobutane-1-carboxylic acid
InChI	InChI=1S/C7H12O4/c1-10-7(11-2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChI Key	FUBIHPWDLJCHSB-UHFFFAOYSA-N
MDL Number	MFCD12755812
Molecular Formula	C7H12O4
Molecular Weight	160.1678
SMILES	O=C(C1CC(OC)(OC)C1)O
Synonyms	3,3-dimethoxycyclobutanecarboxylic acid, 332187-56-1, 3,3-dimethoxycyclobutane-1-carboxylic acid, 3,3-Dimethoxy-cyclobutanecarboxylic acid, 3,3-dimethoxycyclobutanecarboxylicacid, Cyclobutanecarboxylic acid, 3,3-dimethoxy- (9CI), SCHEMBL3632875, AMCB00030, CTK1C0758, DTXSID40620322, WT941, FCH923783, MFCD12755812, ZINC39066897, AKOS006343583, CD-1653, PB19298, 3,3-dimethoxycyclobutane carboxylic acid, ACM332187561, AJ-97893, AM806993, AN-28771, AS-50927, Cyclobutanecarboxylicacid, 3,3-dimethoxy-, EN001431, AX8163771, DB-012059, A5927, CS-0051626, FT-0734071, B-1707, 187D561, I14-16226, 332187-56-1 3,3-Dimethoxycyclobutanecarboxylic acid, Cyclobutanecarboxylicacid,3,3-dimethoxy-,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.169g/mol
Monoisotopic Mass	160.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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