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175610-82-9 | Cyclopentanol, 3-(2-benzoxazolyl)-, (1S,3S)-
CAS No: 175610-82-9 Catalog No: AG00213H MDL No:
Product Description
Catalog Number:
AG00213H
Chemical Name:
Cyclopentanol, 3-(2-benzoxazolyl)-, (1S,3S)-
CAS Number:
175610-82-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
(1S,3S)-3-(1,3-benzoxazol-2-yl)cyclopentan-1-ol
InChI:
InChI=1S/C12H13NO2/c14-9-6-5-8(7-9)12-13-10-3-1-2-4-11(10)15-12/h1-4,8-9,14H,5-7H2/t8-,9-/m0/s1
InChI Key:
BWDCTHGTAICVPP-IUCAKERBSA-N
SMILES:
O[C@H]1CC[C@@H](C1)c1nc2c(o1)cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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