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155322-89-7 | 1,3-Dioxolane-4-carbonyl chloride, 2,2,5-trimethyl-, (4S,5R)-
CAS No: 155322-89-7 Catalog No: AG001NTO MDL No:
Product Description
Catalog Number:
AG001NTO
Chemical Name:
1,3-Dioxolane-4-carbonyl chloride, 2,2,5-trimethyl-, (4S,5R)-
CAS Number:
155322-89-7
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
(4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carbonyl chloride
InChI:
InChI=1S/C7H11ClO3/c1-4-5(6(8)9)11-7(2,3)10-4/h4-5H,1-3H3/t4-,5+/m1/s1
InChI Key:
ZSQOAWMHWUUGEB-UHNVWZDZSA-N
SMILES:
ClC(=O)[C@H]1OC(O[C@@H]1C)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
178.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.612g/mol
Monoisotopic Mass:
178.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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