AG003MPI

37609-25-9 | 5-Cyclohexadecen-1-One

AG003MPI

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CAS Number	37609-25-9
Catalog Number	AG003MPI(AGN-PC-0JPNIX)
Chemical Name	5-Cyclohexadecen-1-One
EC Number	253-568-9
IUPAC Name	cyclohexadec-5-en-1-one
InChI	InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2
InChI Key	ABRIMXGLNHCLIP-UHFFFAOYSA-N
MDL Number	MFCD00059511
Molecular Formula	C16H28O
Molecular Weight	236.3929
SMILES	O=C1CCC/C=C/CCCCCCCCCC1
Synonyms	5-cyclohexadecen-1-one, 5-Cyclohexadecen-1-one, 37609-25-9, 5-Cyclohexadecen-1-one, (E)-, 35951-24-7, 1-cyclohexadecen-6-one, cyclohexadec-5-en-1-one, ACMC-1AJ19, DSSTox_CID_27139, DSSTox_RID_82146, DSSTox_GSID_47139, CHEMBL3188464, DTXSID8047139, CTK1B0290, CTK1C2683, ABRIMXGLNHCLIP-UHFFFAOYSA-N, BCP25564, Tox21_302532, ANW-28690, NCGC00256894-01, CAS-37609-25-9, FT-0620355, 5-Cyclohexadecenone, UNII-1DAH7E9E0D, UNII-7DG0UK1TV3, (E)-5-Cyclohexadecen-1-one, 5 - cyclohexadecen - 1 - one, 5-Cyclohexadecen-1-one, (5E)-, EINECS 253-568-9, C16-H28-O,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.214g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.399g/mol
Monoisotopic Mass	236.214g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H400-H411
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

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