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138799-01-6 | 1,2-Benzenediol, 4-(1,3-dihydroxypropyl)-
CAS No: 138799-01-6 Catalog No: AG0019KU MDL No:
Product Description
Catalog Number:
AG0019KU
Chemical Name:
1,2-Benzenediol, 4-(1,3-dihydroxypropyl)-
CAS Number:
138799-01-6
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
4-(1,3-dihydroxypropyl)benzene-1,2-diol
InChI:
InChI=1S/C9H12O4/c10-4-3-7(11)6-1-2-8(12)9(13)5-6/h1-2,5,7,10-13H,3-4H2
InChI Key:
QSCIGRSAUGUJSJ-UHFFFAOYSA-N
SMILES:
OCCC(c1ccc(c(c1)O)O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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