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102336-07-2 | 4-Pyridinepropanoic acid, 2-methoxy-
CAS No: 102336-07-2 Catalog No: AG00077R MDL No:MFCD10698168
Product Description
Catalog Number:
AG00077R
Chemical Name:
4-Pyridinepropanoic acid, 2-methoxy-
CAS Number:
102336-07-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD10698168
IUPAC Name:
3-(2-methoxypyridin-4-yl)propanoic acid
InChI:
InChI=1S/C9H11NO3/c1-13-8-6-7(4-5-10-8)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChI Key:
UIRMZWVSXQGAQI-UHFFFAOYSA-N
SMILES:
COc1nccc(c1)CCC(=O)O
Properties
Complexity:
172
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:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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