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129462-74-4 | 2H-1-Benzopyran-6-carbonitrile, 4-azido-3,4-dihydro-2,2-dimethyl-
CAS No: 129462-74-4 Catalog No: AG000Z5T MDL No:
Product Description
Catalog Number:
AG000Z5T
Chemical Name:
2H-1-Benzopyran-6-carbonitrile, 4-azido-3,4-dihydro-2,2-dimethyl-
CAS Number:
129462-74-4
Molecular Formula:
C12H12N4O
Molecular Weight:
228.2499
IUPAC Name:
4-azido-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
InChI:
InChI=1S/C12H12N4O/c1-12(2)6-10(15-16-14)9-5-8(7-13)3-4-11(9)17-12/h3-5,10H,6H2,1-2H3
InChI Key:
MXBDHWZKEJBFDS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(CC(O2)(C)C)N=[N+]=[N-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.255g/mol
Monoisotopic Mass:
228.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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