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20514-52-7

20514-52-7 | Cyclohexanepropanal, α-methyl-

CAS No: 20514-52-7 Catalog No: AG0029W9 MDL No:MFCD20385113

Product Description

Catalog Number:
AG0029W9
Chemical Name:
Cyclohexanepropanal, α-methyl-
CAS Number:
20514-52-7
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
MDL Number:
MFCD20385113
IUPAC Name:
3-cyclohexyl-2-methylpropanal
InChI:
InChI=1S/C10H18O/c1-9(8-11)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3
InChI Key:
NYFQSZVPADHYTD-UHFFFAOYSA-N
SMILES:
O=CC(CC1CCCCC1)C
NSC Number:
22286

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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