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2469-18-3

2469-18-3 | 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-α-methyl-

CAS No: 2469-18-3 Catalog No: AG002P1K MDL No:

Product Description

Catalog Number:
AG002P1K
Chemical Name:
1,4-Benzodioxin-2-methanamine, 2,3-dihydro-α-methyl-
CAS Number:
2469-18-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
InChI:
InChI=1S/C10H13NO2/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,7,10H,6,11H2,1H3
InChI Key:
AANTWDPFFAREMQ-UHFFFAOYSA-N
SMILES:
CC(C1COc2c(O1)cccc2)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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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