Home Other Building Blocks 3-(isocyanatomethyl)pentane

3-(isocyanatomethyl)pentane

CAS No.:
947612-23-9
Catalog Number:
AG01DWWF
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG01DWWF
Chemical Name:
3-(isocyanatomethyl)pentane
CAS Number:
947612-23-9
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD30089981
IUPAC Name:
3-(isocyanatomethyl)pentane
InChI:
InChI=1S/C7H13NO/c1-3-7(4-2)5-8-6-9/h7H,3-5H2,1-2H3
InChI Key:
RMCKFEFIZJHSCL-UHFFFAOYSA-N
SMILES:
CCC(CN=C=O)CC
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties