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101971-22-6 | 2H-Pyran, 3-chlorotetrahydro-2-(1-methylethyl)-, (2R,3S)-rel-
CAS No: 101971-22-6 Catalog No: AG00064R MDL No:
Product Description
Catalog Number:
AG00064R
Chemical Name:
2H-Pyran, 3-chlorotetrahydro-2-(1-methylethyl)-, (2R,3S)-rel-
CAS Number:
101971-22-6
Molecular Formula:
C8H15ClO
Molecular Weight:
162.6571
IUPAC Name:
(2S,3R)-3-chloro-2-propan-2-yloxane
InChI:
InChI=1S/C8H15ClO/c1-6(2)8-7(9)4-3-5-10-8/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChI Key:
MAYXLOUFYYYNEI-SFYZADRCSA-N
SMILES:
CC([C@H]1OCCC[C@@H]1Cl)C
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
162.081g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.657g/mol
Monoisotopic Mass:
162.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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