AG0072RQ

41248-13-9 | 1-Hydroxycyclobutanecarboxylic acid

AG0072RQ

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CAS Number	41248-13-9
Catalog Number	AG0072RQ(AGN-PC-0NDF0T)
Chemical Name	1-Hydroxycyclobutanecarboxylic acid
IUPAC Name	1-hydroxycyclobutane-1-carboxylic acid
InChI	InChI=1S/C5H8O3/c6-4(7)5(8)2-1-3-5/h8H,1-3H2,(H,6,7)
InChI Key	XCBNHDSVRQZWLH-UHFFFAOYSA-N
MDL Number	MFCD08861856
Molecular Formula	C5H8O3
Molecular Weight	116.1152
SMILES	O=C(C1(O)CCC1)O
Synonyms	1-Hydroxycyclobutanecarboxylic acid, 41248-13-9, 1-hydroxycyclobutane-1-carboxylic Acid, 1-Hydroxy-cyclobutanecarboxylic acid, Cyclobutanecarboxylic acid, 1-hydroxy-, SCHEMBL321733, AC1Q721E, CTK1D3962, 1-hydroxycyclobutancarboxylic acid, DTXSID60449476, XCBNHDSVRQZWLH-UHFFFAOYSA-N, KS-000005LW, 1-hydroxy-cyclobutane-carboxylic acid, 2903AE, MFCD08861856, SBB053472, ZINC12583050, AKOS009104197, MCULE-3418659917, NE14051, AJ-62654, DA-06019, TS-01603, CS-0052945, FT-0730019, EN300-52009, H67157, AB00983331-01, F8889-7443, Z220564366, C5H8O3, CID10953470,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.047g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	116.116g/mol
Monoisotopic Mass	116.047g/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	8
Hazard statements	H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number