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120219-17-2 | (2S,3S)-2-ISOCYANATO-3-METHYLVALERIC ACID METHYL ESTER
CAS No: 120219-17-2 Catalog No: AG003BP6 MDL No:MFCD00191534
Product Description
Catalog Number:
AG003BP6
Chemical Name:
(2S,3S)-2-ISOCYANATO-3-METHYLVALERIC ACID METHYL ESTER
CAS Number:
120219-17-2
MDL Number:
MFCD00191534
IUPAC Name:
methyl (2S,3S)-2-isocyanato-3-methylpentanoate
InChI:
InChI=1S/C8H13NO3/c1-4-6(2)7(9-5-10)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7-/m0/s1
InChI Key:
OLHBZFKROSWSCI-BQBZGAKWSA-N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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