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1243040-51-8 | 2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-3,4-dimethyl-
CAS No: 1243040-51-8 Catalog No: AG000LTK MDL No:MFCD15732106
Product Description
Catalog Number:
AG000LTK
Chemical Name:
2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-3,4-dimethyl-
CAS Number:
1243040-51-8
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD15732106
IUPAC Name:
3,4-dimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid
InChI:
InChI=1S/C11H13NO3/c1-7-6-15-10-4-3-8(11(13)14)5-9(10)12(7)2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
ALXUVNKYRSRFEY-UHFFFAOYSA-N
SMILES:
CC1COc2c(N1C)cc(cc2)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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