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9043-68-9 | ethyl prop-2-enoate; 2-methylprop-2-enoic acid; propane-1,2-diol; styrene
CAS No: 9043-68-9 Catalog No: AG006DV9 MDL No:
Product Description
Catalog Number:
AG006DV9
Chemical Name:
ethyl prop-2-enoate; 2-methylprop-2-enoic acid; propane-1,2-diol; styrene
CAS Number:
9043-68-9
Molecular Formula:
C20H30O6
Molecular Weight:
366.4486
IUPAC Name:
ethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol;styrene
InChI:
InChI=1S/C8H8.C5H8O2.C4H6O2.C3H8O2/c1-2-8-6-4-3-5-7-8;1-3-5(6)7-4-2;1-3(2)4(5)6;1-3(5)2-4/h2-7H,1H2;3H,1,4H2,2H3;1H2,2H3,(H,5,6);3-5H,2H2,1H3
InChI Key:
PIPACOVXYMPJBB-UHFFFAOYSA-N
SMILES:
OC(=O)C(=C)C.C=Cc1ccccc1.OCC(O)C.CCOC(=O)C=C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.454g/mol
Monoisotopic Mass:
366.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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