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1268521-85-2 | trans-3-Hydroxycyclobutanecarboxylic acid
CAS No: 1268521-85-2 Catalog No: AG000TD4 MDL No:MFCD17676395
Product Description
Catalog Number:
AG000TD4
Chemical Name:
trans-3-Hydroxycyclobutanecarboxylic acid
CAS Number:
1268521-85-2
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD17676395
IUPAC Name:
3-hydroxycyclobutane-1-carboxylic acid
InChI:
InChI=1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChI Key:
ZSHGVMYLGGANKU-UHFFFAOYSA-N
SMILES:
O[C@@H]1C[C@H](C1)C(=O)O
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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