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1243391-44-7 | Benzoic acid, 3-(cyclopropylmethoxy)-4-hydroxy-
CAS No: 1243391-44-7 Catalog No: AG000LVO MDL No:MFCD16999961
Product Description
Catalog Number:
AG000LVO
Chemical Name:
Benzoic acid, 3-(cyclopropylmethoxy)-4-hydroxy-
CAS Number:
1243391-44-7
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD16999961
IUPAC Name:
3-(cyclopropylmethoxy)-4-hydroxybenzoic acid
InChI:
InChI=1S/C11H12O4/c12-9-4-3-8(11(13)14)5-10(9)15-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,13,14)
InChI Key:
CPGNRCZMIIWDPZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)OCC1CC1)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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