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832688-82-1 | 6-Heptenal, 5-[(4-methoxyphenyl)methoxy]-3-methyl-, (3S,5R)-
CAS No: 832688-82-1 Catalog No: AG004U7F MDL No:
Product Description
Catalog Number:
AG004U7F
Chemical Name:
6-Heptenal, 5-[(4-methoxyphenyl)methoxy]-3-methyl-, (3S,5R)-
CAS Number:
832688-82-1
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
IUPAC Name:
(3S,5R)-5-[(4-methoxyphenyl)methoxy]-3-methylhept-6-enal
InChI:
InChI=1S/C16H22O3/c1-4-15(11-13(2)9-10-17)19-12-14-5-7-16(18-3)8-6-14/h4-8,10,13,15H,1,9,11-12H2,2-3H3/t13-,15+/m1/s1
InChI Key:
QHXJDPLYILQHBQ-HIFRSBDPSA-N
SMILES:
COc1ccc(cc1)CO[C@H](C[C@@H](CC=O)C)C=C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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