AG002XGG

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CAS Number	29147-88-4
Catalog Number	AG002XGG(AGN-PC-0LOVIP)
Chemical Name	Benzonitrile, 4-(heptyloxy)-
IUPAC Name	4-heptoxybenzonitrile
InChI	InChI=1S/C14H19NO/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10H,2-6,11H2,1H3
InChI Key	IVYYVHKDOAVYRW-UHFFFAOYSA-N
MDL Number	MFCD00143323
Molecular Formula	C14H19NO
Molecular Weight	217.3068
SMILES	N#CC1=CC=C(OCCCCCCC)C=C1
Synonyms	4-N-heptyloxybenzonitrile, 29147-88-4, 4-(heptyloxy)benzonitrile, 4-heptoxybenzonitrile, 4-heptyloxybenzenecarbonitrile, PubChem8165, AC1NQYTN, 4-heptoxybenzenecarbonitrile, Benzonitrile,4-(heptyloxy)-, 4-HEPTYLOXYBENZONITRILE, Benzonitrile, 4-(heptyloxy)-, SCHEMBL15019508, CTK4G2808, P-(HEPTYLOXY)BENZONITRILE, DTXSID10411789, IVYYVHKDOAVYRW-UHFFFAOYSA-N, ZINC2512537, 9534AF, MFCD00143323, SBB059143, AKOS002685638, AS03746, CM13120, LS10206, MCULE-5632452517, DB-047532, CS-0037591, FT-0619172, ST51044271, S-8058, A819782, A1-10034, I01-5376, C14H19NO, CID5231034,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.312g/mol
Monoisotopic Mass	217.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited