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10236-06-3 | 2,4-Heptadienoic acid, 6-methyl-, ethyl ester
CAS No: 10236-06-3 Catalog No: AG00079F MDL No:
Product Description
Catalog Number:
AG00079F
Chemical Name:
2,4-Heptadienoic acid, 6-methyl-, ethyl ester
CAS Number:
10236-06-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
ethyl 6-methylhepta-2,4-dienoate
InChI:
InChI=1S/C10H16O2/c1-4-12-10(11)8-6-5-7-9(2)3/h5-9H,4H2,1-3H3
InChI Key:
SFUYOPHWNDIHFL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC=CC(C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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