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39570-63-3 | (S)-(-)-2-ISOCYANATO-4-METHYLVALERIC ACID METHYL ESTER
CAS No: 39570-63-3 Catalog No: AG003CDP MDL No:MFCD00191532
Product Description
Catalog Number:
AG003CDP
Chemical Name:
(S)-(-)-2-ISOCYANATO-4-METHYLVALERIC ACID METHYL ESTER
CAS Number:
39570-63-3
MDL Number:
MFCD00191532
IUPAC Name:
methyl (2S)-2-isocyanato-4-methylpentanoate
InChI:
InChI=1S/C8H13NO3/c1-6(2)4-7(9-5-10)8(11)12-3/h6-7H,4H2,1-3H3/t7-/m0/s1
InChI Key:
UWFLIWPVRTVDNO-ZETCQYMHSA-N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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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