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

methyl 3-(oxan-2-yl)propanoate

CAS No.:
32347-87-8
Catalog Number:
AG01AN2V
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01AN2V
Chemical Name:
methyl 3-(oxan-2-yl)propanoate
CAS Number:
32347-87-8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD19612112
IUPAC Name:
methyl 3-(oxan-2-yl)propanoate
InChI:
InChI=1S/C9H16O3/c1-11-9(10)6-5-8-4-2-3-7-12-8/h8H,2-7H2,1H3
InChI Key:
GLECQTRZKVFYKT-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1CCCCO1
Properties
Complexity:
145  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties