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1075-77-0 | p-Chlorocinnamaldehyde
CAS No: 1075-77-0 Catalog No: AG008XLM MDL No:MFCD00156880
Product Description
Catalog Number:
AG008XLM
Chemical Name:
p-Chlorocinnamaldehyde
CAS Number:
1075-77-0
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD00156880
IUPAC Name:
(E)-3-(4-chlorophenyl)prop-2-enal
InChI:
InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChI Key:
HONRSHHPFBMLBT-OWOJBTEDSA-N
SMILES:
O=CC=Cc1ccc(cc1)Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
166.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.604g/mol
Monoisotopic Mass:
166.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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