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87802-76-4 | Carbonic acid, methyl 1-phenyl-2-butenyl ester
CAS No: 87802-76-4 Catalog No: AG004HF3 MDL No:
Product Description
Catalog Number:
AG004HF3
Chemical Name:
Carbonic acid, methyl 1-phenyl-2-butenyl ester
CAS Number:
87802-76-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
methyl 1-phenylbut-2-enyl carbonate
InChI:
InChI=1S/C12H14O3/c1-3-7-11(15-12(13)14-2)10-8-5-4-6-9-10/h3-9,11H,1-2H3
InChI Key:
XWPQBZWAHMWQKZ-UHFFFAOYSA-N
SMILES:
COC(=O)OC(c1ccccc1)C=CC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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