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151214-54-9 | 2,4-Azetidinedicarboxylic acid, 1-methyl-, (2R-trans)- (9CI)
CAS No: 151214-54-9 Catalog No: AG001N6Q MDL No:
Product Description
Catalog Number:
AG001N6Q
Chemical Name:
2,4-Azetidinedicarboxylic acid, 1-methyl-, (2R-trans)- (9CI)
CAS Number:
151214-54-9
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
(2R,4R)-1-methylazetidine-2,4-dicarboxylic acid
InChI:
InChI=1S/C6H9NO4/c1-7-3(5(8)9)2-4(7)6(10)11/h3-4H,2H2,1H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
InChI Key:
VJBYUWHQQZDFID-QWWZWVQMSA-N
SMILES:
CN1[C@H](C[C@@H]1C(=O)O)C(=O)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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