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890097-90-2 | 4-(4-ACETOXYPHENYL)-2-METHYL-1-BUTENE
CAS No: 890097-90-2 Catalog No: AG0043NP MDL No:
Product Description
Catalog Number:
AG0043NP
Chemical Name:
4-(4-ACETOXYPHENYL)-2-METHYL-1-BUTENE
CAS Number:
890097-90-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
[4-(3-methylbut-3-enyl)phenyl] acetate
InChI:
InChI=1S/C13H16O2/c1-10(2)4-5-12-6-8-13(9-7-12)15-11(3)14/h6-9H,1,4-5H2,2-3H3
InChI Key:
JWJCVWOFODYFPQ-UHFFFAOYSA-N
SMILES:
CC(=C)CCc1ccc(cc1)OC(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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