AG002UGQ

2769-72-4 | Acetic acid, 2-isocyano-, 1,1-dimethylethyl ester

AG002UGQ

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CAS Number	2769-72-4
Catalog Number	AG002UGQ(AGN-PC-0KKN71)
Chemical Name	Acetic acid, 2-isocyano-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-isocyanoacetate
InChI	InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)5-8-4/h5H2,1-3H3
InChI Key	IQSYKHVFMYGJER-UHFFFAOYSA-N
MDL Number	MFCD00042952
Molecular Formula	C7H11NO2
Molecular Weight	141.1677
SMILES	C(=O)(OC(C)(C)C)C[N+]#[C-]
Synonyms	tert-Butyl isocyanoacetate, 2769-72-4, 2-Isocyano Acetic Acid Tert-Butyl Ester, Tert-butyl 2-isocyanoacetate, T-butyl isocyanoacetate, tert-butylisocyanoacetate, ACMC-20ajkw, AC1MC0BV, SCHEMBL768870, CTK3J7246, DTXSID70374780, IQSYKHVFMYGJER-UHFFFAOYSA-N, ZX-AT011307, isocyanoacetic acid tert.-butyl ester, MFCD00042952, ZINC95698060, AKOS015959163, FCH1116084, VZ36912, RT-003677, FT-0695318, Acetic acid,2-isocyano-, 1,1-dimethylethyl ester, C-48238, Acetic acid, 2-isocyano-, 1,1-dimethylethyl ester, J-016864, T-BUTYLISOCYANOACETATE, ACN-050163, CID2759404,

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	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H332
Precautionary statements

Certificate of Analysis

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