Home Carboxys 3-(Benzylamino)oxolane-3-carboxylic acid

3-(Benzylamino)oxolane-3-carboxylic acid

CAS No.:
1340215-39-5
Catalog Number:
AG00HT4U
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG00HT4U
Chemical Name:
3-(Benzylamino)oxolane-3-carboxylic acid
CAS Number:
1340215-39-5
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD18333719
IUPAC Name:
3-(benzylamino)oxolane-3-carboxylic acid
InChI:
InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChI Key:
UZLSSCFGNVYENJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(COCC1)NCc1ccccc1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties