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13894-60-5 | 4-Hexenoic acid, methyl ester, (4Z)-
CAS No: 13894-60-5 Catalog No: AG0019WC MDL No:
Product Description
Catalog Number:
AG0019WC
Chemical Name:
4-Hexenoic acid, methyl ester, (4Z)-
CAS Number:
13894-60-5
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
methyl hex-4-enoate
InChI:
InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h3-4H,5-6H2,1-2H3
InChI Key:
MEZYCNMPBPQTLK-UHFFFAOYSA-N
SMILES:
C/C=C\CCC(=O)OC
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| [Analysis of head volatile constituents of Polyonum cuspidatum flower by HS-GC/MS]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20120201 |
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