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3041-16-5 | 1,4-Dioxan-2-one
CAS No: 3041-16-5 Catalog No: AG00301L MDL No:MFCD00215855
Product Description
Catalog Number:
AG00301L
Chemical Name:
1,4-Dioxan-2-one
CAS Number:
3041-16-5
Molecular Formula:
C4H6O3
Molecular Weight:
102.0886
MDL Number:
MFCD00215855
IUPAC Name:
1,4-dioxan-2-one
InChI:
InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2
InChI Key:
VPVXHAANQNHFSF-UHFFFAOYSA-N
SMILES:
O=C1COCCO1
EC Number:
608-477-2
UNII:
HLS754O457
NSC Number:
60534
Properties
Complexity:
79
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.089g/mol
Monoisotopic Mass:
102.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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