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1246509-59-0 | 2H-1-Benzopyran-6-carboxylic acid, 4-amino-3,4-dihydro-, methyl ester, hydrochloride (1:1), (4R)-
CAS No: 1246509-59-0 Catalog No: AG000MIG MDL No:
Product Description
Catalog Number:
AG000MIG
Chemical Name:
2H-1-Benzopyran-6-carboxylic acid, 4-amino-3,4-dihydro-, methyl ester, hydrochloride (1:1), (4R)-
CAS Number:
1246509-59-0
Molecular Formula:
C11H14ClNO3
Molecular Weight:
243.6868
IUPAC Name:
methyl (4R)-4-amino-3,4-dihydro-2H-chromene-6-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO3.ClH/c1-14-11(13)7-2-3-10-8(6-7)9(12)4-5-15-10;/h2-3,6,9H,4-5,12H2,1H3;1H/t9-;/m1./s1
InChI Key:
UCJZSDKGVDIOQR-SBSPUUFOSA-N
SMILES:
COC(=O)c1ccc2c(c1)[C@H](N)CCO2.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.687g/mol
Monoisotopic Mass:
243.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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