Home Other Building Blocks 3-(isocyanatomethyl)oxolane

3-(isocyanatomethyl)oxolane

CAS No.:
1341487-61-3
Catalog Number:
AG01AKR5
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG01AKR5
Chemical Name:
3-(isocyanatomethyl)oxolane
CAS Number:
1341487-61-3
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD18269722
IUPAC Name:
3-(isocyanatomethyl)oxolane
InChI:
InChI=1S/C6H9NO2/c8-5-7-3-6-1-2-9-4-6/h6H,1-4H2
InChI Key:
RGWWNWXLGWYJLV-UHFFFAOYSA-N
SMILES:
O=C=NCC1COCC1
Properties
Complexity:
129  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties