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82628-68-0 | Benzaldehyde, 3,4-dihydroxy-5-methyl-
CAS No: 82628-68-0 Catalog No: AG008K5T MDL No:
Product Description
Catalog Number:
AG008K5T
Chemical Name:
Benzaldehyde, 3,4-dihydroxy-5-methyl-
CAS Number:
82628-68-0
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
3,4-dihydroxy-5-methylbenzaldehyde
InChI:
InChI=1S/C8H8O3/c1-5-2-6(4-9)3-7(10)8(5)11/h2-4,10-11H,1H3
InChI Key:
UQGXJTFCHIBNLQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1)O)O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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