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Home > Other Building Blocks > 13336-31-7
13336-31-7 | 1H-Inden-1-one, 2,3-dihydro-4-methoxy-
CAS No: 13336-31-7 Catalog No: AG0014QR MDL No:MFCD00077816
Product Description
Catalog Number:
AG0014QR
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4-methoxy-
CAS Number:
13336-31-7
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00077816
IUPAC Name:
4-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H10O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4H,5-6H2,1H3
InChI Key:
BTYSYELHQDGJAB-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCC2=O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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