AG002D95

20117-47-9 | Cyclobutanol, 1-methyl-

AG002D95

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CAS Number	20117-47-9
Catalog Number	AG002D95(AGN-PC-0JMRH2)
Chemical Name	Cyclobutanol, 1-methyl-
IUPAC Name	1-methylcyclobutan-1-ol
InChI	InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3
InChI Key	DQWVUKFABWSFJD-UHFFFAOYSA-N
MDL Number	MFCD01218890
Molecular Formula	C5H10O
Molecular Weight	86.1323
SMILES	CC1(O)CCC1
Synonyms	1-Methylcyclobutanol, 1-methylcyclobutan-1-ol, 20117-47-9, cyclobutanol, 1-methyl-, 1-methyl-1-cyclobutanol, AC1L3HE6, CTK1A6977, DTXSID90173934, DQWVUKFABWSFJD-UHFFFAOYSA-N, ZINC5762197, MFCD01218890, AKOS017507568, MCULE-4021675717, NE32844, FT-0747589, Z1365534270, InChI=1/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H, CID140642,

Complexity	55
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	86.073g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	86.134g/mol
Monoisotopic Mass	86.073g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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