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30293-82-4 | Propanoic acid, 2-isocyanato-, methyl ester, (2S)-
CAS No: 30293-82-4 Catalog No: AG002ZJB MDL No:MFCD00191530
Product Description
Catalog Number:
AG002ZJB
Chemical Name:
Propanoic acid, 2-isocyanato-, methyl ester, (2S)-
CAS Number:
30293-82-4
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
MDL Number:
MFCD00191530
IUPAC Name:
methyl (2S)-2-isocyanatopropanoate
InChI:
InChI=1S/C5H7NO3/c1-4(6-3-7)5(8)9-2/h4H,1-2H3/t4-/m0/s1
InChI Key:
ZYILYULSVKLHKZ-BYPYZUCNSA-N
SMILES:
C[C@@H](C(=O)OC)N=C=O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
129.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.115g/mol
Monoisotopic Mass:
129.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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