ethyl 2-isocyanatopropanoate

ethyl 2-isocyanatopropanoate

CAS: 13794-28-0

Formula: C6H9NO3

SMILES: CCOC(=O)C(C)N=C=O

IUPAC: ethyl 2-isocyanatopropanoate

InChI: InChI=1/C6H9NO3/c1-3-10-6(9)5(2)7-4-8/h5H,3H2,1-2H3

Composition: C (50.35%), H (6.34%), N (9.79%), O (33.53%)

Molar Mass: 143.142

Atom Count: 19

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	143.058243154
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PFIQRPNWLUAMOF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.43
Topological Polar Surface Area	55.73
Polarizability	13.15
Ring Count	0
Rotatable Bond Count	4

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