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68957-60-8 | 3,5-dimethyl-6-propylcyclohex-3-ene-1-carbaldehyde
CAS No: 68957-60-8 Catalog No: AG00606G MDL No:
Product Description
Catalog Number:
AG00606G
Chemical Name:
3,5-dimethyl-6-propylcyclohex-3-ene-1-carbaldehyde
CAS Number:
68957-60-8
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide;hydrochloride
InChI:
InChI=1S/C10H13F11N2O2S.ClH/c1-23(2)5-3-4-22-26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19;/h22H,3-5H2,1-2H3;1H
InChI Key:
JMNCANKNSXHVCP-UHFFFAOYSA-N
SMILES:
CCCC1C(C=O)CC(=CC1C)C
EC Number:
273-352-8
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.029g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.726g/mol
Monoisotopic Mass:
470.029g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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