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101402-44-2 | 2H-Pyrrole-4-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester
CAS No: 101402-44-2 Catalog No: AG0004FJ MDL No:
Product Description
Catalog Number:
AG0004FJ
Chemical Name:
2H-Pyrrole-4-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester
CAS Number:
101402-44-2
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
methyl 5-phenyl-3,4-dihydro-2H-pyrrole-4-carboxylate
InChI:
InChI=1S/C12H13NO2/c1-15-12(14)10-7-8-13-11(10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
KHHZGJAKDATSCL-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN=C1c1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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