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17592-23-3 | Benzeneacetaldehyde, α,4-dihydroxy-3-methoxy-
CAS No: 17592-23-3 Catalog No: AG0021B3 MDL No:MFCD19707108
Product Description
Catalog Number:
AG0021B3
Chemical Name:
Benzeneacetaldehyde, α,4-dihydroxy-3-methoxy-
CAS Number:
17592-23-3
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD19707108
IUPAC Name:
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetaldehyde
InChI:
InChI=1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3
InChI Key:
VISAJVAPYPFKCL-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(c(c1)OC)O)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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