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132281-90-4 | 1H-Pyrrole-3-propanoic acid, 4-methyl-, ethyl ester
CAS No: 132281-90-4 Catalog No: AG0010H6 MDL No:MFCD15071675
Product Description
Catalog Number:
AG0010H6
Chemical Name:
1H-Pyrrole-3-propanoic acid, 4-methyl-, ethyl ester
CAS Number:
132281-90-4
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD15071675
IUPAC Name:
ethyl 3-(4-methyl-1H-pyrrol-3-yl)propanoate
InChI:
InChI=1S/C10H15NO2/c1-3-13-10(12)5-4-9-7-11-6-8(9)2/h6-7,11H,3-5H2,1-2H3
InChI Key:
DBFYFCXLALOQKK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1c[nH]cc1C
Properties
Complexity:
170
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:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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