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157071-50-6 | 1H-Pyrrole-2-acetic acid, 1,1-dimethylethyl ester
CAS No: 157071-50-6 Catalog No: AG001P7B MDL No:MFCD20662108
Product Description
Catalog Number:
AG001P7B
Chemical Name:
1H-Pyrrole-2-acetic acid, 1,1-dimethylethyl ester
CAS Number:
157071-50-6
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD20662108
IUPAC Name:
tert-butyl 2-(1H-pyrrol-2-yl)acetate
InChI:
InChI=1S/C10H15NO2/c1-10(2,3)13-9(12)7-8-5-4-6-11-8/h4-6,11H,7H2,1-3H3
InChI Key:
RVUDXGMATWSJLK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cc1ccc[nH]1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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