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19215-29-3 | Acetic acid, monohydrate (8CI,9CI)
CAS No: 19215-29-3 Catalog No: AG002FON MDL No:
Product Description
Catalog Number:
AG002FON
Chemical Name:
Acetic acid, monohydrate (8CI,9CI)
CAS Number:
19215-29-3
Molecular Formula:
C2H6O3
Molecular Weight:
78.0672
IUPAC Name:
acetic acid;hydrate
InChI:
InChI=1S/C2H4O2.H2O/c1-2(3)4;/h1H3,(H,3,4);1H2
InChI Key:
PQLVXDKIJBQVDF-UHFFFAOYSA-N
SMILES:
CC(=O)O.O
Properties
Complexity:
31
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
78.032g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
78.067g/mol
Monoisotopic Mass:
78.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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