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144316-87-0 | 1,3-Benzenediacetonitrile, 2-methoxy-
CAS No: 144316-87-0 Catalog No: AG001JAS MDL No:
Product Description
Catalog Number:
AG001JAS
Chemical Name:
1,3-Benzenediacetonitrile, 2-methoxy-
CAS Number:
144316-87-0
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
2-[3-(cyanomethyl)-2-methoxyphenyl]acetonitrile
InChI:
InChI=1S/C11H10N2O/c1-14-11-9(5-7-12)3-2-4-10(11)6-8-13/h2-4H,5-6H2,1H3
InChI Key:
XREVKTNTUCDTGP-UHFFFAOYSA-N
SMILES:
COc1c(cccc1CC#N)CC#N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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