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93892-08-1 | 3-(HEXYLOXY)-2-OXOPROPIONALDEHYDE
CAS No: 93892-08-1 Catalog No: AG006C1Z MDL No:
Product Description
Catalog Number:
AG006C1Z
Chemical Name:
3-(HEXYLOXY)-2-OXOPROPIONALDEHYDE
CAS Number:
93892-08-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
3-hexoxy-2-oxopropanal
InChI:
InChI=1S/C9H16O3/c1-2-3-4-5-6-12-8-9(11)7-10/h7H,2-6,8H2,1H3
InChI Key:
DGWQOGPDRHHXCF-UHFFFAOYSA-N
SMILES:
CCCCCCOCC(=O)C=O
EC Number:
299-488-8
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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