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89769-38-0 | Propanal, 3-(2-hydroxypropoxy)-
CAS No: 89769-38-0 Catalog No: AG004012 MDL No:
Product Description
Catalog Number:
AG004012
Chemical Name:
Propanal, 3-(2-hydroxypropoxy)-
CAS Number:
89769-38-0
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
3-(2-hydroxypropoxy)propanal
InChI:
InChI=1S/C6H12O3/c1-6(8)5-9-4-2-3-7/h3,6,8H,2,4-5H2,1H3
InChI Key:
KKQCUYRDEALVFA-UHFFFAOYSA-N
SMILES:
O=CCCOCC(O)C
Properties
Complexity:
72.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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