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1260742-18-4 | Carbamic acid, N-[4-(hydroxymethyl)-3-pyrrolidinyl]-, phenylmethyl ester
CAS No: 1260742-18-4 Catalog No: AG000R45 MDL No:
Product Description
Catalog Number:
AG000R45
Chemical Name:
Carbamic acid, N-[4-(hydroxymethyl)-3-pyrrolidinyl]-, phenylmethyl ester
CAS Number:
1260742-18-4
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
benzyl N-[4-(hydroxymethyl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C13H18N2O3/c16-8-11-6-14-7-12(11)15-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,14,16H,6-9H2,(H,15,17)
InChI Key:
SXLRAXWZYSBSDY-UHFFFAOYSA-N
SMILES:
OCC1CNCC1NC(=O)OCc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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