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85223-94-5 | 4-Hydroxy-2,5-dimethylbenzonitrile
CAS No: 85223-94-5 Catalog No: AG004M3R MDL No:MFCD01570772
Product Description
Catalog Number:
AG004M3R
Chemical Name:
4-Hydroxy-2,5-dimethylbenzonitrile
CAS Number:
85223-94-5
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD01570772
IUPAC Name:
4-hydroxy-2,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H9NO/c1-6-4-9(11)7(2)3-8(6)5-10/h3-4,11H,1-2H3
InChI Key:
DGCLRFNSBZRROX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(cc1C)O
Properties
Complexity:
181
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:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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