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75787-78-9 | 3,4-Hexadienoic acid, 2,2,5-trimethyl-, methyl ester
CAS No: 75787-78-9 Catalog No: AG005IEE MDL No:
Product Description
Catalog Number:
AG005IEE
Chemical Name:
3,4-Hexadienoic acid, 2,2,5-trimethyl-, methyl ester
CAS Number:
75787-78-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
methyl 2,2,5-trimethylhexa-3,4-dienoate
InChI:
InChI=1S/C10H16O2/c1-8(2)6-7-10(3,4)9(11)12-5/h7H,1-5H3
InChI Key:
GUQKMELAABLBMX-UHFFFAOYSA-N
SMILES:
COC(=O)C(C=C=C(C)C)(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
No
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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