AG000IWB

1195-81-9 | Cyclobutanecarboxylic acid, 1-(hydroxymethyl)-, ethyl ester

AG000IWB

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CAS Number	1195-81-9
Catalog Number	AG000IWB(AGN-PC-0NKLYL)
Chemical Name	Cyclobutanecarboxylic acid, 1-(hydroxymethyl)-, ethyl ester
IUPAC Name	ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
InChI	InChI=1S/C8H14O3/c1-2-11-7(10)8(6-9)4-3-5-8/h9H,2-6H2,1H3
InChI Key	PWMQFMMZBJUHID-UHFFFAOYSA-N
MDL Number	MFCD11707219
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	O=C(C1(CO)CCC1)OCC
Synonyms	1195-81-9, Ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate, ethyl 1-hydroxymethylcyclobutanecarboxylate, Cyclobutanecarboxylic acid, 1-(hydroxymethyl)-, ethyl ester, ethyl 1-(hydroxymethyl)cyclobutanecarboxylate, 1-hydroxymethyl-cyclobutanecarboxylic acid ethyl ester, MFCD11707219, SCHEMBL1691128, CTK0F9480, DTXSID50576644, PWMQFMMZBJUHID-UHFFFAOYSA-N, 0739AD, ZINC34625654, AKOS025403332, AS-48476, DB-061574, CS-0059194, FT-0713638, ethyl 1-(hydroxymethyl)-cyclobutanecarboxylate, A1-01250, Z2177153573, C8H14O3,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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