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731772-77-3 | 4-(2-CARBOETHOXYPHENYL)-1-BUTENE
CAS No: 731772-77-3 Catalog No: AG005FQU MDL No:MFCD01319573
Product Description
Catalog Number:
AG005FQU
Chemical Name:
4-(2-CARBOETHOXYPHENYL)-1-BUTENE
CAS Number:
731772-77-3
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD01319573
IUPAC Name:
ethyl 2-but-3-enylbenzoate
InChI:
InChI=1S/C13H16O2/c1-3-5-8-11-9-6-7-10-12(11)13(14)15-4-2/h3,6-7,9-10H,1,4-5,8H2,2H3
InChI Key:
WKBWQTJZWDRTEP-UHFFFAOYSA-N
SMILES:
C=CCCc1ccccc1C(=O)OCC
Properties
Complexity:
211
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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