AG0035N4

1116-98-9 | tert-Butyl cyanoacetate

AG0035N4

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CAS Number	1116-98-9
Catalog Number	AG0035N4(AGN-PC-0JL9V8)
Chemical Name	tert-Butyl cyanoacetate
EC Number	214-243-7
IUPAC Name	tert-butyl 2-cyanoacetate
InChI	InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChI Key	BFNYNEMRWHFIMR-UHFFFAOYSA-N
MDL Number	MFCD00001938
Molecular Formula	C7H11NO2
Molecular Weight	141.1677
NSC Number	1072
SMILES	N#CCC(=O)OC(C)(C)C
UNII	PWT31M9VDL
Synonyms	tert-Butyl cyanoacetate, 1116-98-9, tert-butyl 2-cyanoacetate, t-Butyl cyanoacetate, Acetic acid, cyano-, 1,1-dimethylethyl ester, Cyanoacetic Acid tert-Butyl Ester, tert-butylcyanoacetate, UNII-PWT31M9VDL, PWT31M9VDL, Acetic acid, cyano-, tert-butyl ester, BFNYNEMRWHFIMR-UHFFFAOYSA-N, MFCD00001938, Acetic acid, 2-cyano-, 1,1-dimethylethyl ester, tert-butylcyanacetat, t-butylcyanoacetate, NSC 1072, EINECS 214-243-7, Tert butyl cyanoacetate, tert.-Butyl cyanoacetate, AC1L2ENA, AC1Q5XKV, tert-butyl-2-cyanoacetate, ACMC-1C3LF, tert-butyl 2-cyanoethanoate, tert-BUTYLCYANO ACETATE, KSC492K3B, SCHEMBL182386, 1,1-dimethylethyl cyanoacetate, NCCH2C(O)OC(CH3)3, Jsp000877, DTXSID8061501, BFNYNEMRWHFIMR-UHFFFAOYSA-, CTK3J2530, NSC1072, cyano-acetic acid tert-butyl ester, Cyanoacetic acid tert-butyl ester|, 2-cyanoacetic acid tert-butyl ester, ACT02253, CS-D1442, NSC-1072, ZINC1587814, ANW-16309, SBB065778, AKOS000121136, AB00182, GS-3781, MCULE-5812641886, RP20681, RTC-063923, TRA0029565, KS-000000K1, AJ-27624, AK-40120, AN-48544, CJ-05567, CJ-25370, SC-16306, SC-16419, SY007488, tert-Butyl cyanoacetate, >=97.0% (GC), ST2413874, TC-063923, TL8000344, FT-0624128, X8980, AZ0001-0499, M-5319, 33500-EP2292228A1, 33500-EP2311815A1, MFCD00001938 (97+%), 116B989, A802398, I04-0281, W-108669, F8889-2500, Z1250132511, InChI=1/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3, 3-epi-Gibberellin A1, Acetic acid, tert-butyl ester, C7H11NO2, C7-H11-N-O2, CID70693, AR-1L6173, Acetic acid, 1,1-dimethylethyl ester, tert-Butyl cyanoacetate, 98% - 25G 25g, C1441, 5459-58-5, 594-58-1,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.17g/mol
Monoisotopic Mass	141.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number