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74186-01-9 | Benzaldehyde, 2,3,5-trihydroxy-
CAS No: 74186-01-9 Catalog No: AG005DEA MDL No:
Product Description
Catalog Number:
AG005DEA
Chemical Name:
Benzaldehyde, 2,3,5-trihydroxy-
CAS Number:
74186-01-9
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
IUPAC Name:
2,3,5-trihydroxybenzaldehyde
InChI:
InChI=1S/C7H6O4/c8-3-4-1-5(9)2-6(10)7(4)11/h1-3,9-11H
InChI Key:
HUTITODAYBWJRG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)cc(c1O)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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