200,000+ products from a single source!
sales@angenechem.com
151131-84-9 | 2,4-Azetidinedicarboxylic acid, 1-methyl-, (2S-trans)- (9CI)
CAS No: 151131-84-9 Catalog No: AG001N4P MDL No:MFCD27945140
Product Description
Catalog Number:
AG001N4P
Chemical Name:
2,4-Azetidinedicarboxylic acid, 1-methyl-, (2S-trans)- (9CI)
CAS Number:
151131-84-9
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
MDL Number:
MFCD27945140
IUPAC Name:
(2S,4S)-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-/m0/s1
InChI Key:
VJBYUWHQQZDFID-IMJSIDKUSA-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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.