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20392-34-1 | Heptane, 3-(isocyanatomethyl)-
CAS No: 20392-34-1 Catalog No: AG002974 MDL No:
Product Description
Catalog Number:
AG002974
Chemical Name:
Heptane, 3-(isocyanatomethyl)-
CAS Number:
20392-34-1
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
3-(isocyanatomethyl)heptane
InChI:
InChI=1S/C9H17NO/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3
InChI Key:
BHDCTKUOBUNTTP-UHFFFAOYSA-N
SMILES:
CCCCC(CN=C=O)CC
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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