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Home > PEG Linker > 9019-94-7
9019-94-7 | adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; ethylene glycol
CAS No: 9019-94-7 Catalog No: AG00H7D8 MDL No:
Product Description
Catalog Number:
AG00H7D8
Chemical Name:
adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; ethylene glycol
CAS Number:
9019-94-7
Molecular Formula:
C21H32N2O10
Molecular Weight:
472.4862
IUPAC Name:
butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;ethane-1,2-diol;hexanedioic acid
InChI:
InChI=1S/C9H6N2O2.C6H10O4.C4H10O2.C2H6O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6;3-1-2-4/h2-4H,1H3;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2;3-4H,1-2H2
InChI Key:
WTXDHOTZHGHLNV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(=O)O.O=C=Nc1cccc(c1C)N=C=O.OCCCCO.OCCO
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.206g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
472.491g/mol
Monoisotopic Mass:
472.206g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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