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114012-39-4 | 3-Oxetanecarboxylic acid, 3-(1-methylethyl)-
CAS No: 114012-39-4 Catalog No: AG000AAE MDL No:MFCD19231764
Product Description
Catalog Number:
AG000AAE
Chemical Name:
3-Oxetanecarboxylic acid, 3-(1-methylethyl)-
CAS Number:
114012-39-4
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD19231764
IUPAC Name:
3-propan-2-yloxetane-3-carboxylic acid
InChI:
InChI=1S/C7H12O3/c1-5(2)7(6(8)9)3-10-4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChI Key:
XEZZNVDAVOQZKD-UHFFFAOYSA-N
SMILES:
CC(C1(COC1)C(=O)O)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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