methyl 2-isocyanatoacetate

methyl 2-isocyanatoacetate

CAS: 30988-17-1

Formula: C4H5NO3

SMILES: COC(=O)CN=C=O

IUPAC: methyl 2-isocyanatoacetate

InChI: InChI=1S/C4H5NO3/c1-8-4(7)2-5-3-6/h2H2,1H3

Composition: C (41.75%), H (4.38%), N (12.17%), O (41.70%)

Molar Mass: 115.088

Atom Count: 13

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	115.026943025
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZGONRPXUNVTWTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	24.19
Topological Polar Surface Area	55.73
Polarizability	9.54
Ring Count	0
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	30988-17-1		$360.18-$1,035.00$360.18$1,035.00