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1142224-62-1 | Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, methyl ester
CAS No: 1142224-62-1 Catalog No: AG000AV1 MDL No:MFCD27935376
Product Description
Catalog Number:
AG000AV1
Chemical Name:
Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, methyl ester
CAS Number:
1142224-62-1
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD27935376
IUPAC Name:
methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
InChI:
InChI=1S/C13H16O3/c1-16-13(15)8-12(9-5-6-9)10-3-2-4-11(14)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3
InChI Key:
PXBFBXFVUPMAJK-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1cccc(c1)O)C1CC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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