Home Carboxys 7-Amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid

7-Amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid

CAS No.:
99358-09-5
Catalog Number:
AG0065YZ
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG0065YZ
Chemical Name:
7-Amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid
CAS Number:
99358-09-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD06010010
IUPAC Name:
6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4H,1-2,10H2,(H,11,12)
InChI Key:
HYJPNUZJSIEYGD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2OCCOc2cc1N
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties