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101219-71-0 | Benzonitrile, 4-[(1S)-1-hydroxyethyl]-
CAS No: 101219-71-0 Catalog No: AG0003ZR MDL No:MFCD08702986
Product Description
Catalog Number:
AG0003ZR
Chemical Name:
Benzonitrile, 4-[(1S)-1-hydroxyethyl]-
CAS Number:
101219-71-0
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD08702986
IUPAC Name:
4-[(1S)-1-hydroxyethyl]benzonitrile
InChI:
InChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m0/s1
InChI Key:
XGAVOODMMBMCKV-ZETCQYMHSA-N
SMILES:
N#Cc1ccc(cc1)[C@@H](O)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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