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1224709-17-4 | 1,3-Propanediol, 2-(4-amino-3-methoxyphenyl)-
CAS No: 1224709-17-4 Catalog No: AG00179Z MDL No:MFCD17392804
Product Description
Catalog Number:
AG00179Z
Chemical Name:
1,3-Propanediol, 2-(4-amino-3-methoxyphenyl)-
CAS Number:
1224709-17-4
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD17392804
IUPAC Name:
2-(4-amino-3-methoxyphenyl)propane-1,3-diol
InChI:
InChI=1S/C10H15NO3/c1-14-10-4-7(2-3-9(10)11)8(5-12)6-13/h2-4,8,12-13H,5-6,11H2,1H3
InChI Key:
DWYDABJQSNRZRM-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(c(c1)OC)N)CO
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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