 Home > Encyclopedia > [(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate

[(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate

[(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate structure

CAS No:
101858-97-3
Formula:
C18H22Cl2O4
Chemical Name:
[(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate
Synonyms:
101858-97-3;Benzoic acid, 2,4-dichloro-, (octahydro-3-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methyl ester, (2alpha,3beta,4aalpha,8abeta)-;DTXSID30144284

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[(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate Basic Attributes

Molecular Weight：

373.3 g/mol

Exact Mass：

372.0895146 g/mol

DSSTox ID：

DTXSID30144284

Characteristics

PSA：

55.8 Å²

Computed Properties

Molecular Weight:373.3
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:372.0895146
Monoisotopic Mass:372.0895146
Topological Polar Surface Area:55.8
Heavy Atom Count:24
Complexity:460
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2S,3R,4aS,8aR)-3-hydroxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate

Basic Attributes
Characteristics
Computed Properties
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