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1076-95-5 | 2-(4-methoxyphenyl)-2-oxoacetaldehyde
CAS No: 1076-95-5 Catalog No: AG0095RJ MDL No:
Product Description
Catalog Number:
AG0095RJ
Chemical Name:
2-(4-methoxyphenyl)-2-oxoacetaldehyde
CAS Number:
1076-95-5
IUPAC Name:
2-(4-methoxyphenyl)-2-oxoacetaldehyde
InChI:
InChI=1S/C9H8O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,1H3
InChI Key:
LNZBSIXPXJKKDF-UHFFFAOYSA-N
EC Number:
214-067-0
UNII:
0IE1619UGN
NSC Number:
81588
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 3-(4-Meth-oxy-phen-yl)pyrido[2,3-b]pyrazine. | Acta crystallographica. Section E, Structure reports online 20101001 |
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