Home Other Building Blocks 3-(isocyanatomethyl)-3-methyloxetane

3-(isocyanatomethyl)-3-methyloxetane

CAS No.:
1260665-88-0
Catalog Number:
AG01EJYE
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG01EJYE
Chemical Name:
3-(isocyanatomethyl)-3-methyloxetane
CAS Number:
1260665-88-0
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD18251127
IUPAC Name:
3-(isocyanatomethyl)-3-methyloxetane
InChI:
InChI=1S/C6H9NO2/c1-6(2-7-5-8)3-9-4-6/h2-4H2,1H3
InChI Key:
KXRSSLDTHCSJMO-UHFFFAOYSA-N
SMILES:
O=C=NCC1(C)COC1
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties