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74963-16-9 | 2-(3-Chlorophenyl);malonaldehyde
CAS No: 74963-16-9 Catalog No: AG0057Z3 MDL No:MFCD02261887
Product Description
Catalog Number:
AG0057Z3
Chemical Name:
2-(3-Chlorophenyl);malonaldehyde
CAS Number:
74963-16-9
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD02261887
IUPAC Name:
2-(3-chlorophenyl)propanedial
InChI:
InChI=1S/C9H7ClO2/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-6,8H
InChI Key:
MFHYLDNKLVUJAR-UHFFFAOYSA-N
SMILES:
O=CC(c1cccc(c1)Cl)C=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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