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Home > Other Building Blocks > 850404-02-3
850404-02-3 | 1H-Inden-1-ol, 5-methoxy-3-methyl-4-(1-methylethoxy)-
CAS No: 850404-02-3 Catalog No: AG004PUV MDL No:
Product Description
Catalog Number:
AG004PUV
Chemical Name:
1H-Inden-1-ol, 5-methoxy-3-methyl-4-(1-methylethoxy)-
CAS Number:
850404-02-3
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
5-methoxy-3-methyl-4-propan-2-yloxy-1H-inden-1-ol
InChI:
InChI=1S/C14H18O3/c1-8(2)17-14-12(16-4)6-5-10-11(15)7-9(3)13(10)14/h5-8,11,15H,1-4H3
InChI Key:
DVUSNQKRBLSRCD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC(C)C)C(=CC2O)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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