Home Carboxys 1H-Pyrrole-1,2-dicarboxylic acid, 2,3-dihydro-, 2-methyl1-(phenylmethyl) ester, (2S)-

1H-Pyrrole-1,2-dicarboxylic acid, 2,3-dihydro-, 2-methyl1-(phenylmethyl) ester, (2S)-

CAS No.:
856781-81-2
Catalog Number:
AG00IKWN
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IKWN
Chemical Name:
1H-Pyrrole-1,2-dicarboxylic acid, 2,3-dihydro-, 2-methyl1-(phenylmethyl) ester, (2S)-
CAS Number:
856781-81-2
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD11506681
IUPAC Name:
1-O-benzyl 2-O-methyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
InChI:
InChI=1S/C14H15NO4/c1-18-13(16)12-8-5-9-15(12)14(17)19-10-11-6-3-2-4-7-11/h2-7,9,12H,8,10H2,1H3/t12-/m0/s1
InChI Key:
AVFGEGRRBQUROI-LBPRGKRZSA-N
SMILES:
COC(=O)[C@@H]1CC=CN1C(=O)OCc1ccccc1
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties