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115098-69-6 | Benzonitrile, 3-(1-hydroxyethyl)-
CAS No: 115098-69-6 Catalog No: AG000FW2 MDL No:MFCD12047719
Product Description
Catalog Number:
AG000FW2
Chemical Name:
Benzonitrile, 3-(1-hydroxyethyl)-
CAS Number:
115098-69-6
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD12047719
IUPAC Name:
3-(1-hydroxyethyl)benzonitrile
InChI:
InChI=1S/C9H9NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,7,11H,1H3
InChI Key:
ZGFGALOARUPOBS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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