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15045-31-5 | 3-Oxetanecarboxylic acid, 3-hydroxy-2,2,4,4-tetramethyl-
CAS No: 15045-31-5 Catalog No: AG001MN8 MDL No:
Product Description
Catalog Number:
AG001MN8
Chemical Name:
3-Oxetanecarboxylic acid, 3-hydroxy-2,2,4,4-tetramethyl-
CAS Number:
15045-31-5
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylic acid
InChI:
InChI=1S/C8H14O4/c1-6(2)8(11,5(9)10)7(3,4)12-6/h11H,1-4H3,(H,9,10)
InChI Key:
HCYLJZNYUQTWGP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(O)C(C)(C)OC1(C)C
NSC Number:
215741
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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