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16002-19-0 | Propanedial, 2-methyl-
CAS No: 16002-19-0 Catalog No: AG001RLV MDL No:
Product Description
Catalog Number:
AG001RLV
Chemical Name:
Propanedial, 2-methyl-
CAS Number:
16002-19-0
Molecular Formula:
C4H6O2
Molecular Weight:
86.0892
IUPAC Name:
2-methylpropanedial
InChI:
InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3
InChI Key:
VXYSFSCCSQAYJV-UHFFFAOYSA-N
SMILES:
O=CC(C=O)C
UNII:
N9Y140NWK2
NSC Number:
162796
Properties
Complexity:
50.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.037g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
86.09g/mol
Monoisotopic Mass:
86.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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