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70540-33-9 | 8,8-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CAS No: 70540-33-9 Catalog No: AG005U6S MDL No:
Product Description
Catalog Number:
AG005U6S
Chemical Name:
8,8-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CAS Number:
70540-33-9
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carbaldehyde
InChI:
InChI=1S/C13H16O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
HJLINOOPKOQYJI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C(C)(C)CCC2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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