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17422-91-2 | 1,3-Benzenediol, 4-(3-hydroxypropyl)-
CAS No: 17422-91-2 Catalog No: AG001ZJH MDL No:
Product Description
Catalog Number:
AG001ZJH
Chemical Name:
1,3-Benzenediol, 4-(3-hydroxypropyl)-
CAS Number:
17422-91-2
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
4-(3-hydroxypropyl)benzene-1,3-diol
InChI:
InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6,10-12H,1-2,5H2
InChI Key:
VUCICABZBJVJDA-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1O)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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