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119739-95-6 | Butanedioic acid, 2,3-bis(3-carboxy-1-oxopropoxy)-, (2R,3R)-
CAS No: 119739-95-6 Catalog No: AG000PL3 MDL No:
Product Description
Catalog Number:
AG000PL3
Chemical Name:
Butanedioic acid, 2,3-bis(3-carboxy-1-oxopropoxy)-, (2R,3R)-
CAS Number:
119739-95-6
Molecular Formula:
C12H14O12
Molecular Weight:
350.2324
IUPAC Name:
2,3-bis(3-carboxypropanoyloxy)butanedioic acid
InChI:
InChI=1S/C12H14O12/c13-5(14)1-3-7(17)23-9(11(19)20)10(12(21)22)24-8(18)4-2-6(15)16/h9-10H,1-4H2,(H,13,14)(H,15,16)(H,19,20)(H,21,22)
InChI Key:
FOAFRVVMUVLAPQ-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.232g/mol
Monoisotopic Mass:
350.049g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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