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72913-59-8 | 5-Methoxy-1H-inden-1-one
CAS No: 72913-59-8 Catalog No: AG005DZR MDL No:MFCD09842504
Product Description
Catalog Number:
AG005DZR
Chemical Name:
5-Methoxy-1H-inden-1-one
CAS Number:
72913-59-8
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD09842504
IUPAC Name:
5-methoxyinden-1-one
InChI:
InChI=1S/C10H8O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h2-6H,1H3
InChI Key:
RUBAXSSGWHONDJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C=CC2=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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