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89002-82-4 | Benzaldehyde,2-(2-oxoethenyl)-
CAS No: 89002-82-4 Catalog No: AG0088Z0 MDL No:
Product Description
Catalog Number:
AG0088Z0
Chemical Name:
Benzaldehyde,2-(2-oxoethenyl)-
CAS Number:
89002-82-4
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
IUPAC Name:
2-(2-oxoethenyl)benzaldehyde
InChI:
InChI=1S/C9H6O2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-5,7H
InChI Key:
ROMFYYSVZHZDLN-UHFFFAOYSA-N
SMILES:
O=C=Cc1ccccc1C=O
Properties
Complexity:
180
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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