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113771-49-6 | 2H-1-Benzopyran-3-acetonitrile, 3,4-dihydro-
CAS No: 113771-49-6 Catalog No: AG0009ML MDL No:
Product Description
Catalog Number:
AG0009ML
Chemical Name:
2H-1-Benzopyran-3-acetonitrile, 3,4-dihydro-
CAS Number:
113771-49-6
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2-(3,4-dihydro-2H-chromen-3-yl)acetonitrile
InChI:
InChI=1S/C11H11NO/c12-6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,9H,5,7-8H2
InChI Key:
FUJPHBGPWPWNPW-UHFFFAOYSA-N
SMILES:
N#CCC1COc2c(C1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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