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851202-96-5 | 3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid
CAS No: 851202-96-5 Catalog No: AG004R9F MDL No:MFCD11848178
Product Description
Catalog Number:
AG004R9F
Chemical Name:
3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid
CAS Number:
851202-96-5
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD11848178
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c11-9(12)6-1-2-7-8(5-6)13-4-3-10-7/h1-2,5,10H,3-4H2,(H,11,12)
InChI Key:
YCTDKGFOTACSHZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)OCCN2
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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