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23416-69-5 | 2-Propenoyl chloride, 3-(3,4-dihydroxyphenyl)-
CAS No: 23416-69-5 Catalog No: AG002N60 MDL No:
Product Description
Catalog Number:
AG002N60
Chemical Name:
2-Propenoyl chloride, 3-(3,4-dihydroxyphenyl)-
CAS Number:
23416-69-5
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
IUPAC Name:
3-(3,4-dihydroxyphenyl)prop-2-enoyl chloride
InChI:
InChI=1S/C9H7ClO3/c10-9(13)4-2-6-1-3-7(11)8(12)5-6/h1-5,11-12H
InChI Key:
COJAJMNJKIUMOT-UHFFFAOYSA-N
SMILES:
ClC(=O)C=Cc1ccc(c(c1)O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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