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890097-68-4 | 4-(2-ACETOXYPHENYL)-1-BUTENE
CAS No: 890097-68-4 Catalog No: AG0044OZ MDL No:MFCD07782970
Product Description
Catalog Number:
AG0044OZ
Chemical Name:
4-(2-ACETOXYPHENYL)-1-BUTENE
CAS Number:
890097-68-4
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD07782970
IUPAC Name:
(2-but-3-enylphenyl) acetate
InChI:
InChI=1S/C12H14O2/c1-3-4-7-11-8-5-6-9-12(11)14-10(2)13/h3,5-6,8-9H,1,4,7H2,2H3
InChI Key:
ZMLAZUMDGXZFRS-UHFFFAOYSA-N
SMILES:
C=CCCc1ccccc1OC(=O)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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