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202522-03-0 | Benzonitrile, 3-ethyl-4-(hydroxymethyl)-
CAS No: 202522-03-0 Catalog No: AG0028A9 MDL No:MFCD18910890
Product Description
Catalog Number:
AG0028A9
Chemical Name:
Benzonitrile, 3-ethyl-4-(hydroxymethyl)-
CAS Number:
202522-03-0
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD18910890
IUPAC Name:
3-ethyl-4-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C10H11NO/c1-2-9-5-8(6-11)3-4-10(9)7-12/h3-5,12H,2,7H2,1H3
InChI Key:
WSNJZBSPUZABSU-UHFFFAOYSA-N
SMILES:
CCc1cc(C#N)ccc1CO
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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