Home Other Building Blocks 2-methyl-3-(oxan-4-yl)propanal

2-methyl-3-(oxan-4-yl)propanal

CAS No.:
1339031-38-7
Catalog Number:
AG01A72R
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01A72R
Chemical Name:
2-methyl-3-(oxan-4-yl)propanal
CAS Number:
1339031-38-7
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD20385074
IUPAC Name:
2-methyl-3-(oxan-4-yl)propanal
InChI:
InChI=1S/C9H16O2/c1-8(7-10)6-9-2-4-11-5-3-9/h7-9H,2-6H2,1H3
InChI Key:
KIVSSQATIPRDSY-UHFFFAOYSA-N
SMILES:
O=CC(CC1CCOCC1)C
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties