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Benzene, 2,4-diisocyanato-1-methyl-, polymers with hydroxy-terminated polybutadiene(CAS No. 68951-56-4)

Benzene, 2,4-diisocyanato-1-methyl-, polymers with hydroxy-terminated polybutadiene C13H12N2O3 (cas 68951-56-4) Molecular Structure

68951-56-4 Structure

Identification and Related Records

【Name】
Benzene, 2,4-diisocyanato-1-methyl-, polymers with hydroxy-terminated polybutadiene
【CAS Registry number】
68951-56-4
【Synonyms】
Benzene, 2,4-diisocyanato-1-methyl-, polymers with hydroxy-terminated polybutadiene
【Molecular Formula】
C13H12N2O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1S/C9H6N2O2.C4H6O/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-2-3-4-5/h2-4H,1H3;2-5H,1H2/b;4-3+
【Canonical SMILES】
CC1=C(C=C(C=C1)N=C=O)N=C=O.C=CC=CO
【Isomers smiles】
CC1=C(C=C(C=C1)N=C=O)N=C=O.C=C/C=C/O

Chemical and Physical Properties

【Computed Properties】
Molecular Weight:244.24598 [g/mol]
Molecular Formula:C13H12N2O3
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:244.084792
MonoIsotopic Mass:244.084792
Topological Polar Surface Area:79.1
Heavy Atom Count:18
Formal Charge:0
Complexity:310
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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