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1373223-42-7 | 3-Pyrrolidinecarboxylic acid, 4,4-dimethyl-, methyl ester
CAS No: 1373223-42-7 Catalog No: AG00133R MDL No:MFCD22056376
Product Description
Catalog Number:
AG00133R
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4,4-dimethyl-, methyl ester
CAS Number:
1373223-42-7
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD22056376
IUPAC Name:
methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-8(2)5-9-4-6(8)7(10)11-3;/h6,9H,4-5H2,1-3H3;1H
InChI Key:
OBMMQLPHMBRQAU-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCC1(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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