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69768-98-5 | 3-Buten-1-ol, 4-(3,4-dimethoxyphenyl)-, acetate, (E)-
CAS No: 69768-98-5 Catalog No: AG005I0D MDL No:
Product Description
Catalog Number:
AG005I0D
Chemical Name:
3-Buten-1-ol, 4-(3,4-dimethoxyphenyl)-, acetate, (E)-
CAS Number:
69768-98-5
Molecular Formula:
C14H20O5
Molecular Weight:
268.3056
IUPAC Name:
acetic acid;4-(3,4-dimethoxyphenyl)but-3-en-1-ol
InChI:
InChI=1S/C12H16O3.C2H4O2/c1-14-11-7-6-10(5-3-4-8-13)9-12(11)15-2;1-2(3)4/h3,5-7,9,13H,4,8H2,1-2H3;1H3,(H,3,4)
InChI Key:
IKYYFSBLSBQEAW-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCC/C=C/c1ccc(c(c1)OC)OC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.309g/mol
Monoisotopic Mass:
268.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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