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1434128-57-0 | METHYL 4,4-DIMETHYL-2-OXOPYRROLIDINE-3-CARBOXYLATE
CAS No: 1434128-57-0 Catalog No: AG003RU4 MDL No:MFCD24335245
Product Description
Catalog Number:
AG003RU4
Chemical Name:
METHYL 4,4-DIMETHYL-2-OXOPYRROLIDINE-3-CARBOXYLATE
CAS Number:
1434128-57-0
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD24335245
IUPAC Name:
methyl 4,4-dimethyl-2-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-8(2)4-9-6(10)5(8)7(11)12-3/h5H,4H2,1-3H3,(H,9,10)
InChI Key:
MGHKZGVMYAFOPO-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(=O)NCC1(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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