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1002727-87-8 | 2H-1-Benzopyran, 3,4-dihydro-6-isocyanato-
CAS No: 1002727-87-8 Catalog No: AG0001FE MDL No:MFCD12198109
Product Description
Catalog Number:
AG0001FE
Chemical Name:
2H-1-Benzopyran, 3,4-dihydro-6-isocyanato-
CAS Number:
1002727-87-8
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD12198109
IUPAC Name:
6-isocyanato-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C10H9NO2/c12-7-11-9-3-4-10-8(6-9)2-1-5-13-10/h3-4,6H,1-2,5H2
InChI Key:
YNAWMZLOWDUDQF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc2c(c1)CCCO2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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