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161891-25-4 | 2-Propenal, 3-chloro-3-(4-methylphenyl)-, (2Z)-
CAS No: 161891-25-4 Catalog No: AG001VYS MDL No:
Product Description
Catalog Number:
AG001VYS
Chemical Name:
2-Propenal, 3-chloro-3-(4-methylphenyl)-, (2Z)-
CAS Number:
161891-25-4
Molecular Formula:
C10H9ClO
Molecular Weight:
180.6309
IUPAC Name:
3-chloro-3-(4-methylphenyl)prop-2-enal
InChI:
InChI=1S/C10H9ClO/c1-8-2-4-9(5-3-8)10(11)6-7-12/h2-7H,1H3
InChI Key:
MOFCXDAXCLPORX-UHFFFAOYSA-N
SMILES:
O=C/C=C(/c1ccc(cc1)C)\Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.631g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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