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69804-59-7 | 2,7-Dihydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS No: 69804-59-7 Catalog No: AG005HO9 MDL No:MFCD18450434
Product Description
Catalog Number:
AG005HO9
Chemical Name:
2,7-Dihydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS Number:
69804-59-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD18450434
IUPAC Name:
2,7-dihydroxy-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H7NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,8,10,12H,(H,9,11)
InChI Key:
HDRDOKTYPONKPM-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2OC1O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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