Home Carboxys 3-Oxetanecarboxylic acid, 3-(4-methoxyphenyl)-

3-Oxetanecarboxylic acid, 3-(4-methoxyphenyl)-

CAS No.:
1416323-25-5
Catalog Number:
AG001GPC
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
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Product Description
Catalog Number:
AG001GPC
Chemical Name:
3-Oxetanecarboxylic acid, 3-(4-methoxyphenyl)-
CAS Number:
1416323-25-5
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
3-(4-methoxyphenyl)oxetane-3-carboxylic acid
InChI:
InChI=1S/C11H12O4/c1-14-9-4-2-8(3-5-9)11(10(12)13)6-15-7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChI Key:
BCONDYAMTZSZNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(COC1)C(=O)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties