Home Carboxys methyl 1-acetyl-3-hydroxycyclobutane-1-carboxylate

methyl 1-acetyl-3-hydroxycyclobutane-1-carboxylate

CAS No.:
1538188-47-4
Catalog Number:
AG01B6RP
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG01B6RP
Chemical Name:
methyl 1-acetyl-3-hydroxycyclobutane-1-carboxylate
CAS Number:
1538188-47-4
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD21950399
IUPAC Name:
methyl 1-acetyl-3-hydroxycyclobutane-1-carboxylate
InChI:
InChI=1S/C8H12O4/c1-5(9)8(7(11)12-2)3-6(10)4-8/h6,10H,3-4H2,1-2H3
InChI Key:
WUXNEPXTBYLGQW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC(C1)O)C(=O)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties