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16857-98-0 | Phenol, 3,5-bis(dimethylamino)-
CAS No: 16857-98-0 Catalog No: AG001Y5I MDL No:MFCD00128888
Product Description
Catalog Number:
AG001Y5I
Chemical Name:
Phenol, 3,5-bis(dimethylamino)-
CAS Number:
16857-98-0
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD00128888
IUPAC Name:
3,5-bis(dimethylamino)phenol
InChI:
InChI=1S/C10H16N2O/c1-11(2)8-5-9(12(3)4)7-10(13)6-8/h5-7,13H,1-4H3
InChI Key:
VTBZONHGHSXYCH-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)N(C)C)N(C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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