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117076-42-3 | 2-Propenoic acid, 3-[4-(chlorocarbonyl)phenyl]-, methyl ester, (2E)-
CAS No: 117076-42-3 Catalog No: AG000DNT MDL No:
Product Description
Catalog Number:
AG000DNT
Chemical Name:
2-Propenoic acid, 3-[4-(chlorocarbonyl)phenyl]-, methyl ester, (2E)-
CAS Number:
117076-42-3
Molecular Formula:
C11H9ClO3
Molecular Weight:
224.6404
IUPAC Name:
methyl 3-(4-carbonochloridoylphenyl)prop-2-enoate
InChI:
InChI=1S/C11H9ClO3/c1-15-10(13)7-4-8-2-5-9(6-3-8)11(12)14/h2-7H,1H3
InChI Key:
CTMYAKOSBOYZKP-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ccc(cc1)C(=O)Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.64g/mol
Monoisotopic Mass:
224.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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