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88702-63-0 | 4-Pentenal, 2-[(4-chlorophenyl)methylene]-3-methyl-
CAS No: 88702-63-0 Catalog No: AG0046E3 MDL No:
Product Description
Catalog Number:
AG0046E3
Chemical Name:
4-Pentenal, 2-[(4-chlorophenyl)methylene]-3-methyl-
CAS Number:
88702-63-0
Molecular Formula:
C13H13ClO
Molecular Weight:
220.6947
IUPAC Name:
2-[(4-chlorophenyl)methylidene]-3-methylpent-4-enal
InChI:
InChI=1S/C13H13ClO/c1-3-10(2)12(9-15)8-11-4-6-13(14)7-5-11/h3-10H,1H2,2H3
InChI Key:
RCSRNAIIGJAMGE-UHFFFAOYSA-N
SMILES:
O=CC(=Cc1ccc(cc1)Cl)C(C=C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.696g/mol
Monoisotopic Mass:
220.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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