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163812-78-0 | 2-Cyclohexen-1-ol, 4-[(phenylmethoxy)methyl]-, (1R,4S)-
CAS No: 163812-78-0 Catalog No: AG001UFE MDL No:
Product Description
Catalog Number:
AG001UFE
Chemical Name:
2-Cyclohexen-1-ol, 4-[(phenylmethoxy)methyl]-, (1R,4S)-
CAS Number:
163812-78-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
(1R,4S)-4-(phenylmethoxymethyl)cyclohex-2-en-1-ol
InChI:
InChI=1S/C14H18O2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-6,8,13-15H,7,9-11H2/t13-,14+/m1/s1
InChI Key:
UVVNXWFVSUSANY-KGLIPLIRSA-N
SMILES:
O[C@@H]1CC[C@@H](C=C1)COCc1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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