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30333-01-8 | 3,4-Hexadienoic acid, 5-methyl-, ethyl ester
CAS No: 30333-01-8 Catalog No: AG002ZRL MDL No:
Product Description
Catalog Number:
AG002ZRL
Chemical Name:
3,4-Hexadienoic acid, 5-methyl-, ethyl ester
CAS Number:
30333-01-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
ethyl 5-methylhexa-3,4-dienoate
InChI:
InChI=1S/C9H14O2/c1-4-11-9(10)7-5-6-8(2)3/h5H,4,7H2,1-3H3
InChI Key:
JRLVBPHDXSBZBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC=C=C(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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