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Home > Other Building Blocks > 891195-44-1
891195-44-1 | Octanedioic acid, 2,6-dimethyl-, (2S,6R)-
CAS No: 891195-44-1 Catalog No: AG003YZ7 MDL No:
Product Description
Catalog Number:
AG003YZ7
Chemical Name:
Octanedioic acid, 2,6-dimethyl-, (2S,6R)-
CAS Number:
891195-44-1
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
(2S,6R)-2,6-dimethyloctanedioic acid
InChI:
InChI=1S/C10H18O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)/t7-,8+/m1/s1
InChI Key:
YXTSFTNUPXGYDZ-SFYZADRCSA-N
SMILES:
OC(=O)C[C@@H](CCC[C@@H](C(=O)O)C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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