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1245649-01-7 | 3-Pyrrolidinecarboxylic acid, 4,4-dimethyl-, ethyl ester
CAS No: 1245649-01-7 Catalog No: AG000MC6 MDL No:MFCD12756148
Product Description
Catalog Number:
AG000MC6
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4,4-dimethyl-, ethyl ester
CAS Number:
1245649-01-7
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD12756148
IUPAC Name:
ethyl 4,4-dimethylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-4-12-8(11)7-5-10-6-9(7,2)3/h7,10H,4-6H2,1-3H3
InChI Key:
HRUQRKOQOOUEJT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CNCC1(C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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