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76842-67-6 | 1H-Indene-1-carboxaldehyde, 2,3-dihydro-5,7-dimethoxy-
CAS No: 76842-67-6 Catalog No: AG005U42 MDL No:
Product Description
Catalog Number:
AG005U42
Chemical Name:
1H-Indene-1-carboxaldehyde, 2,3-dihydro-5,7-dimethoxy-
CAS Number:
76842-67-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
5,7-dimethoxy-2,3-dihydro-1H-indene-1-carbaldehyde
InChI:
InChI=1S/C12H14O3/c1-14-10-5-8-3-4-9(7-13)12(8)11(6-10)15-2/h5-7,9H,3-4H2,1-2H3
InChI Key:
NXBPHLIFGRXCRQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)CCC2C=O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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