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88633-07-2 | 1H-Indene-4-carboxaldehyde, 2,3-dihydro-3,3,5,6,7-pentamethyl-
CAS No: 88633-07-2 Catalog No: AG004A75 MDL No:
Product Description
Catalog Number:
AG004A75
Chemical Name:
1H-Indene-4-carboxaldehyde, 2,3-dihydro-3,3,5,6,7-pentamethyl-
CAS Number:
88633-07-2
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
IUPAC Name:
3,3,5,6,7-pentamethyl-1,2-dihydroindene-4-carbaldehyde
InChI:
InChI=1S/C15H20O/c1-9-10(2)12-6-7-15(4,5)14(12)13(8-16)11(9)3/h8H,6-7H2,1-5H3
InChI Key:
VSAPLYRTRQRMSG-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C)c(c2c1C(C)(C)CC2)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.151g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.324g/mol
Monoisotopic Mass:
216.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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