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141178-11-2 | 3,5-Hexadienoic acid, 4-methyl-, methyl ester
CAS No: 141178-11-2 Catalog No: AG001G0P MDL No:
Product Description
Catalog Number:
AG001G0P
Chemical Name:
3,5-Hexadienoic acid, 4-methyl-, methyl ester
CAS Number:
141178-11-2
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
methyl 4-methylhexa-3,5-dienoate
InChI:
InChI=1S/C8H12O2/c1-4-7(2)5-6-8(9)10-3/h4-5H,1,6H2,2-3H3
InChI Key:
FKDZFNOPFKSJHG-UHFFFAOYSA-N
SMILES:
COC(=O)CC=C(C=C)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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