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88632-93-3 | 1H-Indene-4-carboxaldehyde, 2,3-dihydro-5,7-dimethyl-
CAS No: 88632-93-3 Catalog No: AG004BHC MDL No:
Product Description
Catalog Number:
AG004BHC
Chemical Name:
1H-Indene-4-carboxaldehyde, 2,3-dihydro-5,7-dimethyl-
CAS Number:
88632-93-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
5,7-dimethyl-2,3-dihydro-1H-indene-4-carbaldehyde
InChI:
InChI=1S/C12H14O/c1-8-6-9(2)12(7-13)11-5-3-4-10(8)11/h6-7H,3-5H2,1-2H3
InChI Key:
SGKKHXHXZMZURU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c2c1CCC2)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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