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1015856-00-4 | Cyclobutanecarboxylic acid, 3-(hydroxymethyl)-
CAS No: 1015856-00-4 Catalog No: AG0004WC MDL No:MFCD09834118
Product Description
Catalog Number:
AG0004WC
Chemical Name:
Cyclobutanecarboxylic acid, 3-(hydroxymethyl)-
CAS Number:
1015856-00-4
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD09834118
IUPAC Name:
3-(hydroxymethyl)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C6H10O3/c7-3-4-1-5(2-4)6(8)9/h4-5,7H,1-3H2,(H,8,9)
InChI Key:
IJDSDHSDNKDDER-UHFFFAOYSA-N
SMILES:
OCC1CC(C1)C(=O)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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