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87-92-3 | Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester
CAS No: 87-92-3 Catalog No: AG001PKT MDL No:MFCD00009443
Product Description
Catalog Number:
AG001PKT
Chemical Name:
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester
CAS Number:
87-92-3
Molecular Formula:
C12H22O6
Molecular Weight:
262.2995
MDL Number:
MFCD00009443
IUPAC Name:
dibutyl (2R,3R)-2,3-dihydroxybutanedioate
InChI:
InChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m1/s1
InChI Key:
PCYQQSKDZQTOQG-NXEZZACHSA-N
SMILES:
CCCCOC(=O)[C@@H]([C@H](C(=O)OCCCC)O)O
EC Number:
201-784-9
UNII:
2D1V32IF1E
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
262.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.302g/mol
Monoisotopic Mass:
262.142g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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