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140846-72-6 | Benzene, hydrate (1:3)
CAS No: 140846-72-6 Catalog No: AG001CVP MDL No:
Product Description
Catalog Number:
AG001CVP
Chemical Name:
Benzene, hydrate (1:3)
CAS Number:
140846-72-6
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
benzene;trihydrate
InChI:
InChI=1S/C6H6.3H2O/c1-2-4-6-5-3-1;;;/h1-6H;3*1H2
InChI Key:
IAIDUXICORLRAD-UHFFFAOYSA-N
SMILES:
c1ccccc1.O.O.O
Properties
Complexity:
15.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
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:
3
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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