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20883-16-3 | 2-Buten-1-ol, 3-phenyl-, 1-acetate
CAS No: 20883-16-3 Catalog No: AG002JXL MDL No:
Product Description
Catalog Number:
AG002JXL
Chemical Name:
2-Buten-1-ol, 3-phenyl-, 1-acetate
CAS Number:
20883-16-3
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
3-phenylbut-2-enyl acetate
InChI:
InChI=1S/C12H14O2/c1-10(8-9-14-11(2)13)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChI Key:
NVIVTRAAPVVZKY-UHFFFAOYSA-N
SMILES:
CC(=CCOC(=O)C)c1ccccc1
EC Number:
244-098-5
Properties
Complexity:
212
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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