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117422-50-1 | 2H-1-Benzopyran-3-amine, 3,4-dihydro-5-methoxy-, (3S)-
CAS No: 117422-50-1 Catalog No: AG000EAD MDL No:MFCD11519119
Product Description
Catalog Number:
AG000EAD
Chemical Name:
2H-1-Benzopyran-3-amine, 3,4-dihydro-5-methoxy-, (3S)-
CAS Number:
117422-50-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD11519119
IUPAC Name:
(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-amine
InChI:
InChI=1S/C10H13NO2/c1-12-9-3-2-4-10-8(9)5-7(11)6-13-10/h2-4,7H,5-6,11H2,1H3/t7-/m0/s1
InChI Key:
UHODZRKJYJILTL-ZETCQYMHSA-N
SMILES:
COc1cccc2c1C[C@H](N)CO2
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:
1
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