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114012-42-9 | 3-Oxetanecarboxylic acid, 3-phenyl-
CAS No: 114012-42-9 Catalog No: AG000AAB MDL No:MFCD20659492
Product Description
Catalog Number:
AG000AAB
Chemical Name:
3-Oxetanecarboxylic acid, 3-phenyl-
CAS Number:
114012-42-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD20659492
IUPAC Name:
3-phenyloxetane-3-carboxylic acid
InChI:
InChI=1S/C10H10O3/c11-9(12)10(6-13-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChI Key:
WOMJGOIQQFWNKL-UHFFFAOYSA-N
SMILES:
OC(=O)C1(COC1)c1ccccc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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