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39323-37-0 | Polypropylene glycol, 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate polymer
CAS No: 39323-37-0 Catalog No: AG0075B9 MDL No:
Product Description
Catalog Number:
AG0075B9
Chemical Name:
Polypropylene glycol, 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate polymer
CAS Number:
39323-37-0
Molecular Formula:
C15H26N2O4
Molecular Weight:
298.3779
IUPAC Name:
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;propane-1,3-diol
InChI:
InChI=1S/C12H18N2O2.C3H8O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;4-2-1-3-5/h10H,4-7H2,1-3H3;4-5H,1-3H2
InChI Key:
FXQJGIVHZAPZJM-UHFFFAOYSA-N
SMILES:
O=C=NCC1(C)CC(N=C=O)CC(C1)(C)C.OCCCO
EC Number:
609-647-9
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.383g/mol
Monoisotopic Mass:
298.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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