Methyl isocyanoacetate

Catalog Number	ACM39687951
CAS	39687-95-1
Structure
IUPAC Name	methyl 2-isocyanoacetate
Synonyms	Methyl isocyanoacetate;39687-95-1;Methyl 2-isocyanoacetate;Isocyanoacetic acid methyl ester;Isocyano-acetic acid methyl ester;MFCD00000006;Methyl isocyanoacetate, 95%, tech.;methylisocyanoacetate;methyl-isocyanoacetate;methyl isocyano-acetate;ACMC-20akf8;methyl alpha-isocyanoacetate;GEO-03019;ZINC95731491;AKOS015950609;AB0000948;DB-049465;FT-0639566;M2549;K-8516
Molecular Weight	99.09g/mol
Molecular Formula	C4H5NO2
Canonical SMILES	COC(=O)C[N+]#[C-]
InChI	InChI=1S/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3
InChI Key	CRXFROMHHBMNAB-UHFFFAOYSA-N
Complexity	110
Covalently-Bonded Unit Count	1
EC Number	254-593-8
Exact Mass	99.032028402g/mol
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Monoisotopic Mass	99.032028402g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.7Å²
X Log P3	-0.5

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