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101787-58-0 | 1,4-Butanediol, 2,3-bis(phenylmethyl)-
CAS No: 101787-58-0 Catalog No: AG0005KN MDL No:
Product Description
Catalog Number:
AG0005KN
Chemical Name:
1,4-Butanediol, 2,3-bis(phenylmethyl)-
CAS Number:
101787-58-0
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
IUPAC Name:
2,3-dibenzylbutane-1,4-diol
InChI:
InChI=1S/C18H22O2/c19-13-17(11-15-7-3-1-4-8-15)18(14-20)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChI Key:
OWUUJFPCWLFCIT-UHFFFAOYSA-N
SMILES:
OCC(C(Cc1ccccc1)CO)Cc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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