AG00DB9N

4415-73-0 | CYCLOBUTANE-1,1-DIYLDIMETHANOL

AG00DB9N

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CAS Number	4415-73-0
Catalog Number	AG00DB9N(AGN-PC-0LC798)
Chemical Name	CYCLOBUTANE-1,1-DIYLDIMETHANOL
IUPAC Name	[1-(hydroxymethyl)cyclobutyl]methanol
InChI	InChI=1S/C6H12O2/c7-4-6(5-8)2-1-3-6/h7-8H,1-5H2
InChI Key	AEBIBBWVNCPTNL-UHFFFAOYSA-N
MDL Number	MFCD00463706
Molecular Formula	C6H12O2
Molecular Weight	116.1583
SMILES	OCC1(CO)CCC1
Synonyms	4415-73-0, 1,1-Cyclobutanedimethanol, cyclobutane-1,1-diyldimethanol, [1-(hydroxymethyl)cyclobutyl]methanol, 1,1-BIS(HYDROXYMETHYL)CYCLOBUTANE, AC1NBRJP, SCHEMBL234016, CTK1D5583, DTXSID30403722, AEBIBBWVNCPTNL-UHFFFAOYSA-N, (1-hydroxymethylcyclobutyl)methanol, 1,1-bis(hydroxymethyl)-cyclobutane, CS-D0251, KS-000006DO, ZINC5289839, MFCD00463706, 1,1-Cyclobutanedimethanol, AldrichCPR, AKOS006274743, CC-1071, RP08602, SB22332, AK326712, AS-40135, SC-66943, BB 0221112, FT-0686120, V5966, K-8935, 415B730, J-503730, F2147-1905, Oxirane, 2- [(1, ?- dimethylethoxy) methyl] ? ? (2S) ?, C6H12O2, ACN-051575, CID4498243, 130232-97-2,

Complexity	70.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	116.16g/mol
Monoisotopic Mass	116.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number