Home Other Building Blocks methyl 3-hydroxy-2-methyl-2-phenylpropanoate

methyl 3-hydroxy-2-methyl-2-phenylpropanoate

CAS No.:
70397-74-9
Catalog Number:
AG01AGDA
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG01AGDA
Chemical Name:
methyl 3-hydroxy-2-methyl-2-phenylpropanoate
CAS Number:
70397-74-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD11502480
IUPAC Name:
methyl 3-hydroxy-2-methyl-2-phenylpropanoate
InChI:
InChI=1S/C11H14O3/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChI Key:
SQYUNXUOZKVKPZ-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)(C(=O)OC)C
Properties
Complexity:
197  
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:
1.4  
Properties