Home Other Building Blocks methyl 6-isocyanatohexanoate

methyl 6-isocyanatohexanoate

CAS No.:
29640-13-9
Catalog Number:
AG01B5RC
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$255
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Product Description
Catalog Number:
AG01B5RC
Chemical Name:
methyl 6-isocyanatohexanoate
CAS Number:
29640-13-9
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD03411274
IUPAC Name:
methyl 6-isocyanatohexanoate
InChI:
InChI=1S/C8H13NO3/c1-12-8(11)5-3-2-4-6-9-7-10/h2-6H2,1H3
InChI Key:
GDUIXXVCMDFRFQ-UHFFFAOYSA-N
SMILES:
O=C=NCCCCCC(=O)OC
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
7  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties