AG00AAK2

1339892-66-8 | 2-Oxa-spiro[3.3]heptan-6-one

AG00AAK2

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CAS Number	1339892-66-8
Catalog Number	AG00AAK2(AGN-PC-0WA71Q)
Chemical Name	2-Oxa-spiro[3.3]heptan-6-one
IUPAC Name	2-oxaspiro[3.3]heptan-6-one
InChI	InChI=1S/C6H8O2/c7-5-1-6(2-5)3-8-4-6/h1-4H2
InChI Key	JWNCVDJOXJTJPB-UHFFFAOYSA-N
MDL Number	MFCD22415239
Molecular Formula	C6H8O2
Molecular Weight	112.1265
SMILES	O=C(C1)CC21COC2
Synonyms	2-oxaspiro[3.3]heptan-6-one, 1339892-66-8, 2-OXA-SPIRO[3.3]HEPTAN-6-ONE, SCHEMBL2560039, 6-Oxaspiro[3.3]heptan-2-one, JWNCVDJOXJTJPB-UHFFFAOYSA-N, KS-000006WF, MFCD22415239, ZINC84325327, AKOS023413556, FCH1632644, PB24493, AK173723, AS-32757, OR312273, AB0094414, ST1020079, CS-0051820, Q-4273,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.052g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.128g/mol
Monoisotopic Mass	112.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H227-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P312-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 3265

Certificate of Analysis

Lot Number