methyl (2S)-2-isocyanatopropanoate

methyl (2S)-2-isocyanatopropanoate

CAS: 30293-82-4

Formula: C5H7NO3

SMILES: COC(=O)[C@H](C)N=C=O

IUPAC: methyl (2S)-2-isocyanatopropanoate

InChI: InChI=1S/C5H7NO3/c1-4(6-3-7)5(8)9-2/h4H,1-2H3/t4-/m0/s1

Composition: C (46.51%), H (5.46%), N (10.85%), O (37.17%)

Molar Mass: 129.115

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	129.042593089
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZYILYULSVKLHKZ-BYPYZUCNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.69
Topological Polar Surface Area	55.73
Polarizability	11.34
Ring Count	0
Rotatable Bond Count	3

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