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931-40-8 | 4-(Hydroxymethyl)-1,3-dioxolan-2-one
CAS No: 931-40-8 Catalog No: AG0034YW MDL No:MFCD00085561
Product Description
Catalog Number:
AG0034YW
Chemical Name:
4-(Hydroxymethyl)-1,3-dioxolan-2-one
CAS Number:
931-40-8
Molecular Formula:
C4H6O4
Molecular Weight:
118.0880
MDL Number:
MFCD00085561
IUPAC Name:
4-(hydroxymethyl)-1,3-dioxolan-2-one
InChI:
InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
InChI Key:
JFMGYULNQJPJCY-UHFFFAOYSA-N
SMILES:
OCC1COC(=O)O1
EC Number:
213-235-0
NSC Number:
60535
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.088g/mol
Monoisotopic Mass:
118.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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