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138603-50-6 | 2H-1-Benzopyran-3-ol, 4-amino-3,4-dihydro-, (3S,4S)-
CAS No: 138603-50-6 Catalog No: AG0018U3 MDL No:
Product Description
Catalog Number:
AG0018U3
Chemical Name:
2H-1-Benzopyran-3-ol, 4-amino-3,4-dihydro-, (3S,4S)-
CAS Number:
138603-50-6
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
(3S,4S)-4-amino-3,4-dihydro-2H-chromen-3-ol
InChI:
InChI=1S/C9H11NO2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,7,9,11H,5,10H2/t7-,9+/m1/s1
InChI Key:
JVPRWKWUBCZNJO-APPZFPTMSA-N
SMILES:
O[C@@H]1COc2c([C@@H]1N)cccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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