Home Other Building Blocks 1-methoxy-3-(oxan-4-yl)propan-2-one

1-methoxy-3-(oxan-4-yl)propan-2-one

CAS No.:
1248138-49-9
Catalog Number:
AG01B2LG
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01B2LG
Chemical Name:
1-methoxy-3-(oxan-4-yl)propan-2-one
CAS Number:
1248138-49-9
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD16820077
IUPAC Name:
1-methoxy-3-(oxan-4-yl)propan-2-one
InChI:
InChI=1S/C9H16O3/c1-11-7-9(10)6-8-2-4-12-5-3-8/h8H,2-7H2,1H3
InChI Key:
RGTCRSDDNXJPDR-UHFFFAOYSA-N
SMILES:
COCC(=O)CC1CCOCC1
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties