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1634-72-6 | Butanal, 2-ethyl-2-(hydroxymethyl)-
CAS No: 1634-72-6 Catalog No: AG001U33 MDL No:
Product Description
Catalog Number:
AG001U33
Chemical Name:
Butanal, 2-ethyl-2-(hydroxymethyl)-
CAS Number:
1634-72-6
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
2-ethyl-2-(hydroxymethyl)butanal
InChI:
InChI=1S/C7H14O2/c1-3-7(4-2,5-8)6-9/h5,9H,3-4,6H2,1-2H3
InChI Key:
RCQAUUCWIIQGEP-UHFFFAOYSA-N
SMILES:
CCC(C=O)(CO)CC
EC Number:
216-654-7
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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