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114095-72-6 | Benzenemethanol, 3-methoxy-α-2-propen-1-yl-, 1-acetate
CAS No: 114095-72-6 Catalog No: AG000AK8 MDL No:
Product Description
Catalog Number:
AG000AK8
Chemical Name:
Benzenemethanol, 3-methoxy-α-2-propen-1-yl-, 1-acetate
CAS Number:
114095-72-6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
1-(3-methoxyphenyl)but-3-enyl acetate
InChI:
InChI=1S/C13H16O3/c1-4-6-13(16-10(2)14)11-7-5-8-12(9-11)15-3/h4-5,7-9,13H,1,6H2,2-3H3
InChI Key:
KFIKGUVDOCFSRD-UHFFFAOYSA-N
SMILES:
C=CCC(c1cccc(c1)OC)OC(=O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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