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925689-58-3 | 1,2,3-Benzenetriol, 5-[(1E)-2-methoxyethenyl]-
CAS No: 925689-58-3 Catalog No: AG006GNE MDL No:
Product Description
Catalog Number:
AG006GNE
Chemical Name:
1,2,3-Benzenetriol, 5-[(1E)-2-methoxyethenyl]-
CAS Number:
925689-58-3
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
5-(2-methoxyethenyl)benzene-1,2,3-triol
InChI:
InChI=1S/C9H10O4/c1-13-3-2-6-4-7(10)9(12)8(11)5-6/h2-5,10-12H,1H3
InChI Key:
XTWHNYGOEAQAGH-UHFFFAOYSA-N
SMILES:
CO/C=C/c1cc(O)c(c(c1)O)O
Properties
Complexity:
169
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:
3
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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