Home Other Building Blocks 6-ethynyl-3,4-dihydro-2H-1,4-benzoxazine

6-ethynyl-3,4-dihydro-2H-1,4-benzoxazine

CAS No.:
627870-75-1
Catalog Number:
AG01B1OW
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
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Product Description
Catalog Number:
AG01B1OW
Chemical Name:
6-ethynyl-3,4-dihydro-2H-1,4-benzoxazine
CAS Number:
627870-75-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD20684821
IUPAC Name:
6-ethynyl-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C10H9NO/c1-2-8-3-4-10-9(7-8)11-5-6-12-10/h1,3-4,7,11H,5-6H2
InChI Key:
OYPYTRGPZQHMKQ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)NCCO2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties