Home Other Building Blocks 1,3-Benzenedimethanol, 5-methoxy-

1,3-Benzenedimethanol, 5-methoxy-

CAS No.:
19254-84-3
Catalog Number:
AG002G30
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
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Product Description
Catalog Number:
AG002G30
Chemical Name:
1,3-Benzenedimethanol, 5-methoxy-
CAS Number:
19254-84-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00182463
IUPAC Name:
[3-(hydroxymethyl)-5-methoxyphenyl]methanol
InChI:
InChI=1S/C9H12O3/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4,10-11H,5-6H2,1H3
InChI Key:
QFWVNEBRTUUHIE-UHFFFAOYSA-N
SMILES:
OCc1cc(OC)cc(c1)CO
Properties
Complexity:
115  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties