AG0027RP

183616-18-4 | Cyclobutanone, 3-(hydroxymethyl)-

AG0027RP

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CAS Number	183616-18-4
Catalog Number	AG0027RP(AGN-PC-07CN8A)
Chemical Name	Cyclobutanone, 3-(hydroxymethyl)-
IUPAC Name	3-(hydroxymethyl)cyclobutan-1-one
InChI	InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2
InChI Key	NPBDXRSQLIOUGJ-UHFFFAOYSA-N
MDL Number	MFCD11100969
Molecular Formula	C5H8O2
Molecular Weight	100.1158
SMILES	OCC1CC(=O)C1
Synonyms	3-(hydroxymethyl)cyclobutanone, 183616-18-4, 3-(hydroxymethyl)cyclobutan-1-one, Cyclobutanone, 3-(hydroxymethyl)-, SCHEMBL477524, AMCB00031, CTK0A6015, DTXSID60670329, KS-000008FW, ZX-RL006072, 9616AA, ANW-67095, DT1310, FCH888328, MFCD11100969, SBB054867, ZINC38540886, AKOS006306888, 3-HYDROXYMETHYL CYCLOBUTANE-ONE, PB17805, RP08516, AJ-96536, AK-89985, AS-50773, EN001427, OR308103, SC-86648, AB0089387, AX8237940, ST1110780, TC-155840, AM20070600, CS-0045541, FT-0684942, C-8447, M111079, J-510882, C5H8O2, 2-Methoxypyridine-4-carboxaldehyde, A4056,

Complexity	80.1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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

Lot Number