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13131-79-8 | 2,3-Butanediol, 2,3-bis(3,4-dimethylphenyl)-
CAS No: 13131-79-8 Catalog No: AG000VXC MDL No:
Product Description
Catalog Number:
AG000VXC
Chemical Name:
2,3-Butanediol, 2,3-bis(3,4-dimethylphenyl)-
CAS Number:
13131-79-8
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
2,3-bis(3,4-dimethylphenyl)butane-2,3-diol
InChI:
InChI=1S/C20H26O2/c1-13-7-9-17(11-15(13)3)19(5,21)20(6,22)18-10-8-14(2)16(4)12-18/h7-12,21-22H,1-6H3
InChI Key:
LXKVVKXOFKKNRG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)C(C(c1ccc(c(c1)C)C)(O)C)(O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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