Home Other Building Blocks (6-Methoxybenzo[d][1,3]dioxol-5-yl)methanamine

(6-Methoxybenzo[d][1,3]dioxol-5-yl)methanamine

CAS No.:
1250007-67-0
Catalog Number:
AG01C5UT
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG01C5UT
Chemical Name:
(6-Methoxybenzo[d][1,3]dioxol-5-yl)methanamine
CAS Number:
1250007-67-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD16061312
IUPAC Name:
(6-methoxy-1,3-benzodioxol-5-yl)methanamine
InChI:
InChI=1S/C9H11NO3/c1-11-7-3-9-8(12-5-13-9)2-6(7)4-10/h2-3H,4-5,10H2,1H3
InChI Key:
QRWGNZIUKGWTPE-UHFFFAOYSA-N
SMILES:
NCc1cc2OCOc2cc1OC
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties