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Home Nitriles 2H-Chromene-3-carbonitrile

2H-Chromene-3-carbonitrile

CAS No.:
57543-66-5
Catalog Number:
AG00EFF3
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$88
- +
5g
95%
In Stock USA
United States
$313
- +
10g
95%
In Stock USA
United States
$525
- +
25g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00EFF3
Chemical Name:
2H-Chromene-3-carbonitrile
CAS Number:
57543-66-5
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD00202019
IUPAC Name:
2H-chromene-3-carbonitrile
InChI:
InChI=1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2
InChI Key:
NQOLOKKZYCSJRL-UHFFFAOYSA-N
SMILES:
N#CC1=Cc2c(OC1)cccc2
NSC Number:
279236
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties