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18879-06-6 | 2-Propanone, hydrate (9CI)
CAS No: 18879-06-6 Catalog No: AG002HBN MDL No:
Product Description
Catalog Number:
AG002HBN
Chemical Name:
2-Propanone, hydrate (9CI)
CAS Number:
18879-06-6
Molecular Formula:
C3H8O2
Molecular Weight:
76.0944
IUPAC Name:
propan-2-one;hydrate
InChI:
InChI=1S/C3H6O.H2O/c1-3(2)4;/h1-2H3;1H2
InChI Key:
OVARTBFNCCXQKS-UHFFFAOYSA-N
SMILES:
CC(=O)C.O
Properties
Complexity:
26.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.052g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
76.095g/mol
Monoisotopic Mass:
76.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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