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88122-12-7 | Benzaldehyde, 3,4-dihydroxy-2-methyl-
CAS No: 88122-12-7 Catalog No: AG004IGU MDL No:MFCD22070217
Product Description
Catalog Number:
AG004IGU
Chemical Name:
Benzaldehyde, 3,4-dihydroxy-2-methyl-
CAS Number:
88122-12-7
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD22070217
IUPAC Name:
3,4-dihydroxy-2-methylbenzaldehyde
InChI:
InChI=1S/C8H8O3/c1-5-6(4-9)2-3-7(10)8(5)11/h2-4,10-11H,1H3
InChI Key:
OSYMDNUEVGSSKZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1C)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:
1
Literature
| Title | Journal |
|---|---|
| Further investigation into maple syrup yields 3 new lignans, a new phenylpropanoid, and 26 other phytochemicals. | Journal of agricultural and food chemistry 20110727 |
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