AG003P49

2158-31-8 | Cycloheptanone oxime

AG003P49

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CAS Number	2158-31-8
Catalog Number	AG003P49(AGN-PC-0JMPGZ)
Chemical Name	Cycloheptanone oxime
IUPAC Name	N-cycloheptylidenehydroxylamine
InChI	InChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6H2
InChI Key	OENGSNXUALAIFP-UHFFFAOYSA-N
MDL Number	MFCD00046508
Molecular Formula	C7H13NO
Molecular Weight	127.1842
NSC Number	80656
SMILES	O/N=C1CCCCCC1
UNII	C2O7M4H8YM
Synonyms	cycloheptanone oxime, 2158-31-8, Cycloheptanone, oxime, Cycloheptanoneoxime, UNII-C2O7M4H8YM, C2O7M4H8YM, N-cycloheptylidenehydroxylamine, OENGSNXUALAIFP-UHFFFAOYSA-N, Suberoxime, AC1L3AMR, ACMC-1CEG1, AC1Q5A3L, CHEMBL92922, SCHEMBL1022705, CTK4E7197, DTXSID50175934, KS-000014EG, NSC80656, ZINC4896574, ANW-24502, MFCD00046508, NSC-80656, AKOS008939754, N-[(1E)-cycloheptylidene]hydroxylamine, NE11022, DB-045630, TC-069738, FT-0083404, FT-0634078, EN300-39213, 77342-EP2275407A1, 77342-EP2301918A1, 77342-EP2308831A1, I14-91393, InChI=1/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6H, CID137457, C1543,

Complexity	99.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.1g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.187g/mol
Monoisotopic Mass	127.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number