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132473-95-1 | 1,2-Benzenediol, 5-(3-hydroxypropyl)-3-methoxy-
CAS No: 132473-95-1 Catalog No: AG0010PY MDL No:
Product Description
Catalog Number:
AG0010PY
Chemical Name:
1,2-Benzenediol, 5-(3-hydroxypropyl)-3-methoxy-
CAS Number:
132473-95-1
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
5-(3-hydroxypropyl)-3-methoxybenzene-1,2-diol
InChI:
InChI=1S/C10H14O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h5-6,11-13H,2-4H2,1H3
InChI Key:
KMSAGIQULZSSAN-UHFFFAOYSA-N
SMILES:
OCCCc1cc(O)c(c(c1)OC)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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