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116168-80-0 | Benzoic acid, 3-hydroxy-5-propoxy-, methyl ester
CAS No: 116168-80-0 Catalog No: AG000BS1 MDL No:
Product Description
Catalog Number:
AG000BS1
Chemical Name:
Benzoic acid, 3-hydroxy-5-propoxy-, methyl ester
CAS Number:
116168-80-0
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
methyl 3-hydroxy-5-propoxybenzoate
InChI:
InChI=1S/C11H14O4/c1-3-4-15-10-6-8(11(13)14-2)5-9(12)7-10/h5-7,12H,3-4H2,1-2H3
InChI Key:
RKGMWWUEKWIPJT-UHFFFAOYSA-N
SMILES:
CCCOc1cc(O)cc(c1)C(=O)OC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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