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144077-21-4 | 1,3-Cyclohexadiene-1-carboxylic acid, 4-(1-methylethenyl)-
CAS No: 144077-21-4 Catalog No: AG001IW4 MDL No:
Product Description
Catalog Number:
AG001IW4
Chemical Name:
1,3-Cyclohexadiene-1-carboxylic acid, 4-(1-methylethenyl)-
CAS Number:
144077-21-4
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
4-prop-1-en-2-ylcyclohexa-1,3-diene-1-carboxylic acid
InChI:
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,5H,1,4,6H2,2H3,(H,11,12)
InChI Key:
IFLOYODPYGARDU-UHFFFAOYSA-N
SMILES:
CC(=C)C1=CC=C(CC1)C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| From linden flower to linden honey. Part 2: Glycosidic precursors of cyclohexa-1,3-diene-1-carboxylic acids. | Chemistry & biodiversity 20060101 |
| From the linden flower to linden honey--volatile constituents of linden nectar, the extract of bee-stomach and ripe honey. | Chemistry & biodiversity 20041201 |
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