Home Carboxys 1-[3-(benzyloxy)propyl]cyclopropane-1-carboxylic acid

1-[3-(benzyloxy)propyl]cyclopropane-1-carboxylic acid

CAS No.:
1881566-83-1
Catalog Number:
AG01BKF0
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
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Product Description
Catalog Number:
AG01BKF0
Chemical Name:
1-[3-(benzyloxy)propyl]cyclopropane-1-carboxylic acid
CAS Number:
1881566-83-1
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD31421877
IUPAC Name:
1-(3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C14H18O3/c15-13(16)14(8-9-14)7-4-10-17-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,16)
InChI Key:
QDNVUCFHKCYXHY-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCOCc2ccccc2)CC1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties