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124600-39-1 | 1,3-Dioxolane-4-carbonylchloride, 2,2,5-trimethyl-, (4S-cis)- (9CI)
CAS No: 124600-39-1 Catalog No: AG000MGX MDL No:
Product Description
Catalog Number:
AG000MGX
Chemical Name:
1,3-Dioxolane-4-carbonylchloride, 2,2,5-trimethyl-, (4S-cis)- (9CI)
CAS Number:
124600-39-1
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
(4S,5S)-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-/m0/s1
InChI Key:
ZSQOAWMHWUUGEB-WHFBIAKZSA-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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