AG003A2C

4415-74-1 | 2-Cyclobutylethanol

AG003A2C

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CAS Number	4415-74-1
Catalog Number	AG003A2C(AGN-PC-03BMJ1)
Chemical Name	2-Cyclobutylethanol
IUPAC Name	2-cyclobutylethanol
InChI	InChI=1S/C6H12O/c7-5-4-6-2-1-3-6/h6-7H,1-5H2
InChI Key	KUARIPXRZDVUJO-UHFFFAOYSA-N
MDL Number	MFCD09926194
Molecular Formula	C6H12O
Molecular Weight	100.1589
SMILES	C1(CCC1)CCO
Synonyms	2-cyclobutylethanol, 4415-74-1, 2-Cyclobutyl-ethanol, Cyclobutaneethanol, 2-cyclobutylethan-1-ol, SCHEMBL79061, CTK8A3802, KUARIPXRZDVUJO-UHFFFAOYSA-N, MFCD09926194, ZINC38534278, AKOS006313470, NE57515, AJ-95690, AM807009, DB-070518, CS-0054337, FT-0710700, I14-16737,

Complexity	48.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.089g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	100.161g/mol
Monoisotopic Mass	100.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅲ
Precautionary statements	P210
UN Code	UN 1993

Certificate of Analysis

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