Home Other Building Blocks Methyl 4-phenylbutanoate

Methyl 4-phenylbutanoate

CAS No.:
2046-17-5
Catalog Number:
AG0029LO
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$63
- +
1g
98%
1 week
United States
$73
- +
5g
98%
1 week
United States
$177
- +
Product Description
Catalog Number:
AG0029LO
Chemical Name:
Methyl 4-phenylbutanoate
CAS Number:
2046-17-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00043756
IUPAC Name:
methyl 4-phenylbutanoate
InChI:
InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChI Key:
YRYZGVBKMWFWGT-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1ccccc1
EC Number:
218-067-1
UNII:
YMR11U800F
NSC Number:
133895
FEMA Number:
2739
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties