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68037-29-6 | 1,3-Butanediol, polymer with 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, phenol-blocked 1,3-Butylene glycol, toluene diisocyanate, trimethylolpropane polymer, phenol-blocked
CAS No: 68037-29-6 Catalog No: AG00FLWN MDL No:
Product Description
Catalog Number:
AG00FLWN
Chemical Name:
1,3-Butanediol, polymer with 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, phenol-blocked 1,3-Butylene glycol, toluene diisocyanate, trimethylolpropane polymer, phenol-blocked
CAS Number:
68037-29-6
IUPAC Name:
butane-1,3-diol;1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;phenol
InChI:
InChI=1S/C9H6N2O2.C6H14O3.C6H6O.C4H10O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-2-6(3-7,4-8)5-9;7-6-4-2-1-3-5-6;1-4(6)2-3-5/h2-4H,1H3;7-9H,2-5H2,1H3;1-5,7H;4-6H,2-3H2,1H3
InChI Key:
WUYRIQIUJVJTKY-UHFFFAOYSA-N
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.247g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
492.569g/mol
Monoisotopic Mass:
492.247g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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