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1023-94-5 | 1,4-Butanediol, 1,1-diphenyl-
CAS No: 1023-94-5 Catalog No: AG00075Q MDL No:
Product Description
Catalog Number:
AG00075Q
Chemical Name:
1,4-Butanediol, 1,1-diphenyl-
CAS Number:
1023-94-5
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
1,1-diphenylbutane-1,4-diol
InChI:
InChI=1S/C16H18O2/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2
InChI Key:
FMSXBGXFTZSEAU-UHFFFAOYSA-N
SMILES:
OCCCC(c1ccccc1)(c1ccccc1)O
EC Number:
213-827-9
NSC Number:
85870
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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