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77554-91-7 | 2H-Pyran-4-carbonylchloride, 2-ethyltetrahydro-2-methyl-
CAS No: 77554-91-7 Catalog No: AG005GSO MDL No:
Product Description
Catalog Number:
AG005GSO
Chemical Name:
2H-Pyran-4-carbonylchloride, 2-ethyltetrahydro-2-methyl-
CAS Number:
77554-91-7
Molecular Formula:
C9H15ClO2
Molecular Weight:
190.6672
IUPAC Name:
2-ethyl-2-methyloxane-4-carbonyl chloride
InChI:
InChI=1S/C9H15ClO2/c1-3-9(2)6-7(8(10)11)4-5-12-9/h7H,3-6H2,1-2H3
InChI Key:
AMEGLLWXYHIAOH-UHFFFAOYSA-N
SMILES:
CC1(CC)CC(CCO1)C(=O)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.667g/mol
Monoisotopic Mass:
190.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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