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68641-74-7

68641-74-7 | 6-(1-(1-methylethyl)allyl)cyclohex-2-ene-1-carbaldehyde

CAS No: 68641-74-7 Catalog No: AG006I2H MDL No:

Product Description

Catalog Number:
AG006I2H
Chemical Name:
6-(1-(1-methylethyl)allyl)cyclohex-2-ene-1-carbaldehyde
CAS Number:
68641-74-7
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
6-(4-methylpent-1-en-3-yl)cyclohex-2-ene-1-carbaldehyde
InChI:
InChI=1S/C13H20O/c1-4-12(10(2)3)13-8-6-5-7-11(13)9-14/h4-5,7,9-13H,1,6,8H2,2-3H3
InChI Key:
LIWODPOWBUCDSS-UHFFFAOYSA-N
SMILES:
C=CC(C1CCC=CC1C=O)C(C)C
EC Number:
267-908-9

Properties

Complexity:
227  
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:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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