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162255-37-0 | Pentanal, 3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-, (2S,3R)-
CAS No: 162255-37-0 Catalog No: AG001SXU MDL No:
Product Description
Catalog Number:
AG001SXU
Chemical Name:
Pentanal, 3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-, (2S,3R)-
CAS Number:
162255-37-0
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
InChI:
InChI=1S/C15H22O3/c1-11(2)15(12(3)9-16)18-10-13-5-7-14(17-4)8-6-13/h5-9,11-12,15H,10H2,1-4H3/t12-,15-/m1/s1
InChI Key:
FVCUTAVIMQHQSJ-IUODEOHRSA-N
SMILES:
O=C[C@H]([C@@H](C(C)C)OCc1ccc(cc1)OC)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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