AG000IOV

1194-18-9 | CYCLOHEPTANE-1,3-DIONE

AG000IOV

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CAS Number	1194-18-9
Catalog Number	AG000IOV(AGN-PC-0WA3ED)
Chemical Name	CYCLOHEPTANE-1,3-DIONE
IUPAC Name	cycloheptane-1,3-dione
InChI	InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
InChI Key	DBOVMTXPZWVYAQ-UHFFFAOYSA-N
MDL Number	MFCD14584421
Molecular Formula	C7H10O2
Molecular Weight	126.1531
SMILES	C1(CCCCC(C1)=O)=O
Synonyms	Cycloheptane-1,3-dione, 1194-18-9, 1,3-Cycloheptanedione, 1 3-Cycloheptanedione 97, MFCD01863735, ACMC-20aijy, 1,3-cycloheptandione, PubChem20261, Cycloheptan-1,3-dione, cyclohep tane-1,3-dione, cycloheptane-1,3-quinone, AC1N3Y6H, cycloheptane-?1,?3-?dione, KSC173K8N, SCHEMBL696582, 1,3-Cycloheptanedione, 97%, AMOT0269, CTK0H3586, DTXSID20399029, DBOVMTXPZWVYAQ-UHFFFAOYSA-N, ZINC403358, BCP22831, KS-00000X6C, ANW-74972, SBB056238, AKOS015855290, AM85496, CS-W002860, GS-4099, LS40206, QC-4402, RL00755, RTX-011498, TRA0073254, VZ20541, AJ-22053, AK-49302, BR-49302, SC-14500, SY011060, AB0035105, AB1003364, ST2419189, 4CH-014310, BB 0261771, FT-0645761, X9379, MFCD01863735 (97%), S-4496, A804279, J-503881, S14-0705, Z1741973498, null, C7H10O2, ACN-S002379, CID4072367,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.155g/mol
Monoisotopic Mass	126.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number