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1003708-34-6 | Benzonitrile, 5-amino-3-ethyl-2-methoxy-
CAS No: 1003708-34-6 Catalog No: AG0001R3 MDL No:
Product Description
Catalog Number:
AG0001R3
Chemical Name:
Benzonitrile, 5-amino-3-ethyl-2-methoxy-
CAS Number:
1003708-34-6
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
5-amino-3-ethyl-2-methoxybenzonitrile
InChI:
InChI=1S/C10H12N2O/c1-3-7-4-9(12)5-8(6-11)10(7)13-2/h4-5H,3,12H2,1-2H3
InChI Key:
QDGMJLMGDBMFBQ-UHFFFAOYSA-N
SMILES:
CCc1cc(N)cc(c1OC)C#N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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