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167298-57-9 | Carbamic acid, [(1R,3R)-3-hydroxycyclopentyl]-, phenylmethyl ester, rel- (9CI)
CAS No: 167298-57-9 Catalog No: AG001XA5 MDL No:MFCD23136868
Product Description
Catalog Number:
AG001XA5
Chemical Name:
Carbamic acid, [(1R,3R)-3-hydroxycyclopentyl]-, phenylmethyl ester, rel- (9CI)
CAS Number:
167298-57-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD23136868
IUPAC Name:
benzyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate
InChI:
InChI=1S/C13H17NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,14,16)/t11-,12-/m0/s1
InChI Key:
BOLLUGKKOBOJGH-RYUDHWBXSA-N
SMILES:
O[C@@H]1CC[C@H](C1)NC(=O)OCc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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