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1142234-38-5 | Benzenepropanoic acid, 3-hydroxy-β-methyl-, methyl ester
CAS No: 1142234-38-5 Catalog No: AG000AUY MDL No:MFCD27959542
Product Description
Catalog Number:
AG000AUY
Chemical Name:
Benzenepropanoic acid, 3-hydroxy-β-methyl-, methyl ester
CAS Number:
1142234-38-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD27959542
IUPAC Name:
methyl 3-(3-hydroxyphenyl)butanoate
InChI:
InChI=1S/C11H14O3/c1-8(6-11(13)14-2)9-4-3-5-10(12)7-9/h3-5,7-8,12H,6H2,1-2H3
InChI Key:
YAGQTKVZMWEMLI-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1cccc(c1)O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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