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1142224-60-9 | Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-
CAS No: 1142224-60-9 Catalog No: AG000AV2 MDL No:MFCD24503676
Product Description
Catalog Number:
AG000AV2
Chemical Name:
Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-
CAS Number:
1142224-60-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD24503676
IUPAC Name:
3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C12H14O3/c13-10-3-1-2-9(6-10)11(7-12(14)15)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2,(H,14,15)
InChI Key:
QDUBBYWKNCGSOJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)O)C1CC1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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