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Home > Other Building Blocks > 113811-32-8
113811-32-8 | 2,4,7-Octatrienoic acid, 6-oxo-, methyl ester, (2E,4E)-
CAS No: 113811-32-8 Catalog No: AG0009RM MDL No:
Product Description
Catalog Number:
AG0009RM
Chemical Name:
2,4,7-Octatrienoic acid, 6-oxo-, methyl ester, (2E,4E)-
CAS Number:
113811-32-8
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
methyl 6-oxoocta-2,4,7-trienoate
InChI:
InChI=1S/C9H10O3/c1-3-8(10)6-4-5-7-9(11)12-2/h3-7H,1H2,2H3
InChI Key:
NTIVYSNDDZJQFU-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C=C/C(=O)C=C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.3
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