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115551-46-7 | Carbamic acid, N-3-pyrrolidinyl-, phenylmethyl ester
CAS No: 115551-46-7 Catalog No: AG000G58 MDL No:MFCD04115314
Product Description
Catalog Number:
AG000G58
Chemical Name:
Carbamic acid, N-3-pyrrolidinyl-, phenylmethyl ester
CAS Number:
115551-46-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD04115314
IUPAC Name:
benzyl N-pyrrolidin-3-ylcarbamate
InChI:
InChI=1S/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)
InChI Key:
DSOICHFMGRBFCM-UHFFFAOYSA-N
SMILES:
O=C(NC1CNCC1)OCc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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