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779288-70-9 | 2,2-Azetidinedicarboxylicacid, 1-methyl-3-(1-methylethyl)-4-oxo-
CAS No: 779288-70-9 Catalog No: AG005EG2 MDL No:
Product Description
Catalog Number:
AG005EG2
Chemical Name:
2,2-Azetidinedicarboxylicacid, 1-methyl-3-(1-methylethyl)-4-oxo-
CAS Number:
779288-70-9
Molecular Formula:
C9H13NO5
Molecular Weight:
215.2032
IUPAC Name:
1-methyl-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid
InChI:
InChI=1S/C9H13NO5/c1-4(2)5-6(11)10(3)9(5,7(12)13)8(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChI Key:
RNGXBTBTFIDRPS-UHFFFAOYSA-N
SMILES:
CC(C1C(=O)N(C1(C(=O)O)C(=O)O)C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.205g/mol
Monoisotopic Mass:
215.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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