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1018978-90-9 | 2H-1-Benzopyran-4-amine, 3,4-dihydro-6-methoxy-, (4S)-
CAS No: 1018978-90-9 Catalog No: AG0005UW MDL No:MFCD07374072
Product Description
Catalog Number:
AG0005UW
Chemical Name:
2H-1-Benzopyran-4-amine, 3,4-dihydro-6-methoxy-, (4S)-
CAS Number:
1018978-90-9
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD07374072
IUPAC Name:
(4S)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
InChI:
InChI=1S/C10H13NO2/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6,9H,4-5,11H2,1H3/t9-/m0/s1
InChI Key:
APTWFKUWDZQXHL-VIFPVBQESA-N
SMILES:
COc1ccc2c(c1)[C@@H](N)CCO2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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