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89393-14-6 | 2,4-Pentadienoic acid, 5-methoxy-3-methyl-, methyl ester
CAS No: 89393-14-6 Catalog No: AG003WCL MDL No:
Product Description
Catalog Number:
AG003WCL
Chemical Name:
2,4-Pentadienoic acid, 5-methoxy-3-methyl-, methyl ester
CAS Number:
89393-14-6
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
methyl 5-methoxy-3-methylpenta-2,4-dienoate
InChI:
InChI=1S/C8H12O3/c1-7(4-5-10-2)6-8(9)11-3/h4-6H,1-3H3
InChI Key:
HYDXVERAKPEIHM-UHFFFAOYSA-N
SMILES:
COC=CC(=CC(=O)OC)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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