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121440-82-2 | Carbonic acid, ethyl [(2E)-4-methyl-1-(1-methylethyl)-2-penten-1-yl] ester
CAS No: 121440-82-2 Catalog No: AG0014ZN MDL No:
Product Description
Catalog Number:
AG0014ZN
Chemical Name:
Carbonic acid, ethyl [(2E)-4-methyl-1-(1-methylethyl)-2-penten-1-yl] ester
CAS Number:
121440-82-2
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
2,6-dimethylhept-4-en-3-yl ethyl carbonate
InChI:
InChI=1S/C12H22O3/c1-6-14-12(13)15-11(10(4)5)8-7-9(2)3/h7-11H,6H2,1-5H3
InChI Key:
QQQOBWUTKMYEAE-UHFFFAOYSA-N
SMILES:
CCOC(=O)OC(C(C)C)/C=C/C(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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