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2035-94-1 | Benzeneethanol, β-ethyl-
CAS No: 2035-94-1 Catalog No: AG0028XJ MDL No:MFCD00004742
Product Description
Catalog Number:
AG0028XJ
Chemical Name:
Benzeneethanol, β-ethyl-
CAS Number:
2035-94-1
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD00004742
IUPAC Name:
2-phenylbutan-1-ol
InChI:
InChI=1S/C10H14O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3
InChI Key:
DNHNBMQCHKKDNI-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)CO
EC Number:
218-003-2
Properties
Complexity:
95
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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