Home Other Building Blocks Butanoic acid,3-methyl-4-(phenylmethoxy)-

Butanoic acid,3-methyl-4-(phenylmethoxy)-

CAS No.:
132437-90-2
Catalog Number:
AG00808D
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG00808D
Chemical Name:
Butanoic acid,3-methyl-4-(phenylmethoxy)-
CAS Number:
132437-90-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD01075210
IUPAC Name:
3-methyl-4-phenylmethoxybutanoic acid
InChI:
InChI=1S/C12H16O3/c1-10(7-12(13)14)8-15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)
InChI Key:
UGBWZCMPGYFVDL-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)COCc1ccccc1
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties