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Home > Other Building Blocks > 81013-17-4
81013-17-4 | 5H-1,3-Dioxolo[4,5-d]oxocin(9CI)
CAS No: 81013-17-4 Catalog No: AG005HIR MDL No:
Product Description
Catalog Number:
AG005HIR
Chemical Name:
5H-1,3-Dioxolo[4,5-d]oxocin(9CI)
CAS Number:
81013-17-4
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
5H-[1,3]dioxolo[4,5-d]oxocine
InChI:
InChI=1S/C8H8O3/c1-2-7-8(11-6-10-7)3-5-9-4-1/h1-4H,5-6H2
InChI Key:
ZRKCTRAAAOHNBH-UHFFFAOYSA-N
SMILES:
O1C=CC=C2C(=CC1)OCO2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
1.2
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