Home Carboxys 2H-1-Benzopyran-4-carboxylicacid,4-amino-3,4-dihydro-(9CI)

2H-1-Benzopyran-4-carboxylicacid,4-amino-3,4-dihydro-(9CI)

CAS No.:
412924-90-4
Catalog Number:
AG00CWOR
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG00CWOR
Chemical Name:
2H-1-Benzopyran-4-carboxylicacid,4-amino-3,4-dihydro-(9CI)
CAS Number:
412924-90-4
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD02662634
IUPAC Name:
4-amino-2,3-dihydrochromene-4-carboxylic acid
InChI:
InChI=1S/C10H11NO3/c11-10(9(12)13)5-6-14-8-4-2-1-3-7(8)10/h1-4H,5-6,11H2,(H,12,13)
InChI Key:
FZXIFTMHVUISOO-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CCOc2c1cccc2
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties