Home Other Building Blocks Benzenepropanoic acid, beta-cyclopropyl-3-hydroxy-, methyl ester, (betas)-

Benzenepropanoic acid, beta-cyclopropyl-3-hydroxy-, methyl ester, (betas)-

CAS No.:
1142223-08-2
Catalog Number:
AG000AV4
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$403
- +
5g
97%
1 week
United States
$1360
- +
Product Description
Catalog Number:
AG000AV4
Chemical Name:
Benzenepropanoic acid, beta-cyclopropyl-3-hydroxy-, methyl ester, (betas)-
CAS Number:
1142223-08-2
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD27956898
IUPAC Name:
methyl (3S)-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/t12-/m0/s1
InChI Key:
PXBFBXFVUPMAJK-LBPRGKRZSA-N
SMILES:
COC(=O)C[C@H](c1cccc(c1)O)C1CC1
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties