Home Aldehydes trans-3-Chlorocinnamaldehyde

trans-3-Chlorocinnamaldehyde

CAS No.:
56578-37-1
Catalog Number:
AG0033OA
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
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Product Description
Catalog Number:
AG0033OA
Chemical Name:
trans-3-Chlorocinnamaldehyde
CAS Number:
56578-37-1
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD07437882
IUPAC Name:
(E)-3-(3-chlorophenyl)prop-2-enal
InChI:
InChI=1S/C9H7ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
InChI Key:
GTQLBYROWRZDHS-DUXPYHPUSA-N
SMILES:
O=C/C=C/c1cccc(c1)Cl
Properties
Complexity:
154  
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:
2.2  
Properties