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85661-28-5 | 2-Butenedioic acid(2Z)-, bis[3-(2-propenyloxy)-2,2-bis[(2-propenyloxy)methyl]propyl] ester (9CI)
CAS No: 85661-28-5 Catalog No: AG0050KD MDL No:
Product Description
Catalog Number:
AG0050KD
Chemical Name:
2-Butenedioic acid(2Z)-, bis[3-(2-propenyloxy)-2,2-bis[(2-propenyloxy)methyl]propyl] ester (9CI)
CAS Number:
85661-28-5
Molecular Formula:
C32H48O10
Molecular Weight:
592.7175
IUPAC Name:
bis[3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propyl] (Z)-but-2-enedioate
InChI:
InChI=1S/C32H48O10/c1-7-15-35-21-31(22-36-16-8-2,23-37-17-9-3)27-41-29(33)13-14-30(34)42-28-32(24-38-18-10-4,25-39-19-11-5)26-40-20-12-6/h7-14H,1-6,15-28H2/b14-13-
InChI Key:
JTLFNSMMENANMV-YPKPFQOOSA-N
SMILES:
C=CCOCC(COCC=C)(COCC=C)COC(=O)/C=C\C(=O)OCC(COCC=C)(COCC=C)COCC=C
EC Number:
288-111-2
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
592.325g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.726g/mol
Monoisotopic Mass:
592.325g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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