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19420-41-8 | 3-prop-2-ynylbenzooxazol-2-one
CAS No: 19420-41-8 Catalog No: AG007RQ3 MDL No:MFCD01664300
Product Description
Catalog Number:
AG007RQ3
Chemical Name:
3-prop-2-ynylbenzooxazol-2-one
CAS Number:
19420-41-8
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD01664300
IUPAC Name:
3-prop-2-ynyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H7NO2/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h1,3-6H,7H2
InChI Key:
BMKFKTFCOJPUGR-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)oc2c1cccc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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