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140480-49-5 | Benzene, hydrate (1:2)
CAS No: 140480-49-5 Catalog No: AG001CJ2 MDL No:
Product Description
Catalog Number:
AG001CJ2
Chemical Name:
Benzene, hydrate (1:2)
CAS Number:
140480-49-5
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
benzene;dihydrate
InChI:
InChI=1S/C6H6.2H2O/c1-2-4-6-5-3-1;;/h1-6H;2*1H2
InChI Key:
YMALVMXXWVJKRP-UHFFFAOYSA-N
SMILES:
c1ccccc1.O.O
Properties
Complexity:
15.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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