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122991-47-3 | 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, pentenyl ester (9CI)
CAS No: 122991-47-3 Catalog No: AG000JVT MDL No:
Product Description
Catalog Number:
AG000JVT
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, pentenyl ester (9CI)
CAS Number:
122991-47-3
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
pent-1-enyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C15H18O4/c1-3-4-5-10-19-15(17)9-7-12-6-8-13(16)14(11-12)18-2/h5-11,16H,3-4H2,1-2H3
InChI Key:
UQQJZVPOUBXAKS-UHFFFAOYSA-N
SMILES:
CCCC=COC(=O)C=Cc1ccc(c(c1)OC)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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