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68991-96-8 | 2-Naphthalenecarboxaldehyde,1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
CAS No: 68991-96-8 Catalog No: AG006DUZ MDL No:
Product Description
Catalog Number:
AG006DUZ
Chemical Name:
2-Naphthalenecarboxaldehyde,1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
CAS Number:
68991-96-8
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde
InChI:
InChI=1S/C13H20O/c1-13(2)7-3-4-11-8-10(9-14)5-6-12(11)13/h9-10H,3-8H2,1-2H3
InChI Key:
POLSEKWMVQFBBA-UHFFFAOYSA-N
SMILES:
O=CC1CCC2=C(C1)CCCC2(C)C
EC Number:
273-660-2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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