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1260637-45-3 | Carbamic acid, N-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]-, phenylmethyl ester
CAS No: 1260637-45-3 Catalog No: AG000QWO MDL No:
Product Description
Catalog Number:
AG000QWO
Chemical Name:
Carbamic acid, N-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]-, phenylmethyl ester
CAS Number:
1260637-45-3
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
benzyl N-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]carbamate
InChI:
InChI=1S/C14H19NO4/c16-10-14(7-6-12(17)8-14)15-13(18)19-9-11-4-2-1-3-5-11/h1-5,12,16-17H,6-10H2,(H,15,18)
InChI Key:
YCASJRROSDDCHH-UHFFFAOYSA-N
SMILES:
OCC1(CCC(C1)O)NC(=O)OCc1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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