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138769-50-3 | 2-Propenoyl chloride, 3-(4-hydroxy-3-methoxyphenyl)-
CAS No: 138769-50-3 Catalog No: AG0019J2 MDL No:
Product Description
Catalog Number:
AG0019J2
Chemical Name:
2-Propenoyl chloride, 3-(4-hydroxy-3-methoxyphenyl)-
CAS Number:
138769-50-3
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride
InChI:
InChI=1S/C10H9ClO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3
InChI Key:
WSEXOTOKARDTCR-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)Cl)ccc1O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Identifying new lignin bioengineering targets: 1. Monolignol-substitute impacts on lignin formation and cell wall fermentability. | BMC plant biology 20100101 |
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