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123296-71-9 | 2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-
CAS No: 123296-71-9 Catalog No: AG000K9X MDL No:MFCD20527907
Product Description
Catalog Number:
AG000K9X
Chemical Name:
2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-
CAS Number:
123296-71-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD20527907
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c11-9(12)6-2-1-3-7-8(6)10-4-5-13-7/h1-3,10H,4-5H2,(H,11,12)
InChI Key:
PXUXUJPEQCJYIM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1NCCO2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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