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101046-34-8 | 1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-1-(phenylmethyl)-, methyl ester
CAS No: 101046-34-8 Catalog No: AG0003MY MDL No:MFCD05662773
Product Description
Catalog Number:
AG0003MY
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-1-(phenylmethyl)-, methyl ester
CAS Number:
101046-34-8
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD05662773
IUPAC Name:
methyl 1-benzyl-2,5-dihydropyrrole-3-carboxylate
InChI:
InChI=1S/C13H15NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChI Key:
KRKHGZZFPSTQSW-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCN(C1)Cc1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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