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83846-76-8 | Pentanal,2-[chloro(4-methoxyphenyl)methylene]-
CAS No: 83846-76-8 Catalog No: AG0054TB MDL No:
Product Description
Catalog Number:
AG0054TB
Chemical Name:
Pentanal,2-[chloro(4-methoxyphenyl)methylene]-
CAS Number:
83846-76-8
Molecular Formula:
C13H15ClO2
Molecular Weight:
238.7100
IUPAC Name:
2-[chloro-(4-methoxyphenyl)methylidene]pentanal
InChI:
InChI=1S/C13H15ClO2/c1-3-4-11(9-15)13(14)10-5-7-12(16-2)8-6-10/h5-9H,3-4H2,1-2H3
InChI Key:
KZPCSONSSYBYMY-UHFFFAOYSA-N
SMILES:
CCCC(=C(c1ccc(cc1)OC)Cl)C=O
EC Number:
281-054-4
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.711g/mol
Monoisotopic Mass:
238.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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