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173398-37-3 | 2-Cyclohexen-1-ol, 5-(phenylmethoxy)-, (1R,5R)-rel-
CAS No: 173398-37-3 Catalog No: AG001YUB MDL No:
Product Description
Catalog Number:
AG001YUB
Chemical Name:
2-Cyclohexen-1-ol, 5-(phenylmethoxy)-, (1R,5R)-rel-
CAS Number:
173398-37-3
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
(1S,5S)-5-phenylmethoxycyclohex-2-en-1-ol
InChI:
InChI=1S/C13H16O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2/t12-,13+/m1/s1
InChI Key:
VDBBSMWFXDNOBW-OLZOCXBDSA-N
SMILES:
O[C@H]1C=CC[C@H](C1)OCc1ccccc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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