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91795-92-5 | Oxiraneacetaldehyde, 3-pentyl-
CAS No: 91795-92-5 Catalog No: AG006AL7 MDL No:
Product Description
Catalog Number:
AG006AL7
Chemical Name:
Oxiraneacetaldehyde, 3-pentyl-
CAS Number:
91795-92-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2-(3-pentyloxiran-2-yl)acetaldehyde
InChI:
InChI=1S/C9H16O2/c1-2-3-4-5-8-9(11-8)6-7-10/h7-9H,2-6H2,1H3
InChI Key:
HEXGZHJMMROIQO-UHFFFAOYSA-N
SMILES:
CCCCCC1OC1CC=O
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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