AG00I4IT

23107-52-0 | Cyclobutanone, 2-(hydroxymethyl)-

AG00I4IT

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CAS Number	23107-52-0
Catalog Number	AG00I4IT(AGN-PC-0NJITE)
Chemical Name	Cyclobutanone, 2-(hydroxymethyl)-
IUPAC Name	2-(hydroxymethyl)cyclobutan-1-one
InChI	InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2
InChI Key	SWWZYFVOUUTMPJ-UHFFFAOYSA-N
MDL Number	MFCD23106469
Molecular Formula	C5H8O2
Molecular Weight	100.1158
SMILES	OCC1CCC1=O
Synonyms	2-(hydroxymethyl)cyclobutanone, 23107-52-0, 2-(hydroxymethyl)cyclobutan-1-one, Cyclobutanone, 2-(hydroxymethyl)-, Ethyl 1-Boc-hexahydrocyclopenta-[c]pyrrole-5-carboxylate, 2-methylolcyclobutan-1-one, SCHEMBL7705041, 2-(Hydroxymethyl)cyclobutane-1-one, 2-(hydroxymethyl)-cyclobutan-1-one, MFCD23106469, PB37542, SB10896, AS-51899, CS-0045469, KS-00000469, Hexahydrocyclopenta[c]pyrrole-5-carboxylic acid, 1419101-18-0, 1419101-26-0,

Complexity	88.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.052g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	100.117g/mol
Monoisotopic Mass	100.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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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