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141987-72-6 | 1H-Naphtho[2,1-b]pyran-2-carbonitrile, 3-amino-
CAS No: 141987-72-6 Catalog No: AG001HHU MDL No:MFCD00435349
Product Description
Catalog Number:
AG001HHU
Chemical Name:
1H-Naphtho[2,1-b]pyran-2-carbonitrile, 3-amino-
CAS Number:
141987-72-6
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD00435349
IUPAC Name:
3-amino-1H-benzo[f]chromene-2-carbonitrile
InChI:
InChI=1S/C14H10N2O/c15-8-10-7-12-11-4-2-1-3-9(11)5-6-13(12)17-14(10)16/h1-6H,7,16H2
InChI Key:
KGTWPNUXYAQGBC-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)Oc2c(C1)c1ccccc1cc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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