Home Other Building Blocks 2-METHYLHEX-5-ENAL

2-METHYLHEX-5-ENAL

CAS No.:
154779-70-1
Catalog Number:
AG01DVM9
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG01DVM9
Chemical Name:
2-METHYLHEX-5-ENAL
CAS Number:
154779-70-1
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD20385054
IUPAC Name:
2-methylhex-5-enal
InChI:
InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h3,6-7H,1,4-5H2,2H3
InChI Key:
RFDSJBMHTRDRBW-UHFFFAOYSA-N
SMILES:
C=CCCC(C=O)C
Properties
Complexity:
76.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties