AG00I57E

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CAS Number	27472-21-5
Catalog Number	AG00I57E(AGN-PC-0JS9ER)
Chemical Name	Benzeneacetonitrile, 3,4-diethoxy-
EC Number	248-479-7
IUPAC Name	2-(3,4-diethoxyphenyl)acetonitrile
InChI	InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3
InChI Key	OBDKFHFLERWBBI-UHFFFAOYSA-N
MDL Number	MFCD00060715
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	N#CCC1=CC=C(OCC)C(OCC)=C1
Synonyms	3,4-Diethoxyphenylacetonitrile, 27472-21-5, 2-(3,4-diethoxyphenyl)acetonitrile, (3,4-Diethoxyphenyl)acetonitrile, Benzeneacetonitrile, 3,4-diethoxy-, 3,4-diethoxybenzyl cyanide, OBDKFHFLERWBBI-UHFFFAOYSA-N, 2-(3,4-diethoxyphenyl)ethanenitrile, EINECS 248-479-7, ZERO/001032, PubChem13152, Enamine_005113, EC 248-479-7, AC1LAU42, AC1Q37HT, 3,4-diethoxy-benzyl cyanide, Oprea1_371438, 3,4-Diethoxybenzeneacetonitrile, SCHEMBL2967916, 3,4-diethoxyphenyl acetonitrile, 3,4-diethoxybenzene acetonitrile, CTK4F9759, ZINC52616, DTXSID60181900, Benzeneacetonitrile,3,4-diethoxy-, HMS1408I09, ALBB-020763, ZX-AN036412, (3,4-diethoxy-phenyl)-acetonitrile, (3,4-Diethoxyphenyl)acetonitrile #, MFCD00060715, SBB001591, STK349291, 2-(3,4-diethoxyphenyl)-acetonitrile, AKOS000115158, FS-5559, MCULE-5069269926, VZ25506, ACM27472215, IDI1_007700, AJ-09146, CC-13126, L424, SC-54190, ZB001537, AX8014073, DB-021880, ST4045689, TR-012318, EU-0052082, FT-0638706, R1897, ST24039231, 472D215, C-10162, SR-01000524006, I01-3545, J-016776, SR-01000524006-1, Z56872847, Not Available, C12H15NO2, C12-H15-N-O2, CID520318,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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