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1379325-60-6 | 3-Oxetanecarboxylic acid, 3-(hydroxymethyl)-
CAS No: 1379325-60-6 Catalog No: AG00145A MDL No:MFCD20040523
Product Description
Catalog Number:
AG00145A
Chemical Name:
3-Oxetanecarboxylic acid, 3-(hydroxymethyl)-
CAS Number:
1379325-60-6
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
MDL Number:
MFCD20040523
IUPAC Name:
3-(hydroxymethyl)oxetane-3-carboxylic acid
InChI:
InChI=1S/C5H8O4/c6-1-5(4(7)8)2-9-3-5/h6H,1-3H2,(H,7,8)
InChI Key:
OBAXXYDVDRRLAY-UHFFFAOYSA-N
SMILES:
OCC1(COC1)C(=O)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.042g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.115g/mol
Monoisotopic Mass:
132.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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