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13283-44-8 | 2-Propenoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
CAS No: 13283-44-8 Catalog No: AG00118S MDL No:
Product Description
Catalog Number:
AG00118S
Chemical Name:
2-Propenoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
CAS Number:
13283-44-8
Molecular Formula:
C16H30O6
Molecular Weight:
318.4058
IUPAC Name:
[2,2,4-trimethyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C16H26O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10,13H,3,5,9H2,1-2,4,6-8H3
InChI Key:
TVGGFVNRRGKACD-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)O.CC(=C)C(=O)O.OCC(C(C(C)C)O)(C)C
EC Number:
236-294-4
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.38g/mol
Monoisotopic Mass:
282.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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