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130632-98-3 | Phenol, 4-(aminomethyl)-3,5-dimethoxy-
CAS No: 130632-98-3 Catalog No: AG000UPR MDL No:
Product Description
Catalog Number:
AG000UPR
Chemical Name:
Phenol, 4-(aminomethyl)-3,5-dimethoxy-
CAS Number:
130632-98-3
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
4-(aminomethyl)-3,5-dimethoxyphenol
InChI:
InChI=1S/C9H13NO3/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-4,11H,5,10H2,1-2H3
InChI Key:
YHGWPVRGCLHGNG-UHFFFAOYSA-N
SMILES:
COc1cc(O)cc(c1CN)OC
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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