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119755-64-5 | 2H-1-Benzopyran-3-amine, 3,4-dihydro-7-methoxy-
CAS No: 119755-64-5 Catalog No: AG000PLJ MDL No:MFCD09261196
Product Description
Catalog Number:
AG000PLJ
Chemical Name:
2H-1-Benzopyran-3-amine, 3,4-dihydro-7-methoxy-
CAS Number:
119755-64-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD09261196
IUPAC Name:
7-methoxy-3,4-dihydro-2H-chromen-3-amine
InChI:
InChI=1S/C10H13NO2/c1-12-9-3-2-7-4-8(11)6-13-10(7)5-9/h2-3,5,8H,4,6,11H2,1H3
InChI Key:
JGIHXVOYCDUASG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OCC(C2)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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