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Home > Aldehydes > 207742-88-9
207742-88-9 | Benzaldehyde, 3,4,5-trihydroxy-, hydrate (1:1)
CAS No: 207742-88-9 Catalog No: AG002J91 MDL No:MFCD00149124
Product Description
Catalog Number:
AG002J91
Chemical Name:
Benzaldehyde, 3,4,5-trihydroxy-, hydrate (1:1)
CAS Number:
207742-88-9
Molecular Formula:
C7H8O5
Molecular Weight:
172.1354
MDL Number:
MFCD00149124
IUPAC Name:
3,4,5-trihydroxybenzaldehyde;hydrate
InChI:
InChI=1S/C7H6O4.H2O/c8-3-4-1-5(9)7(11)6(10)2-4;/h1-3,9-11H;1H2
InChI Key:
OSEOMYNJYKADOS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(c(c1)O)O.O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
172.136g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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