Home Other Building Blocks 4-(cyclopropylmethyl)benzoic acid

4-(cyclopropylmethyl)benzoic acid

CAS No.:
1093214-56-2
Catalog Number:
AG01EK7T
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01EK7T
Chemical Name:
4-(cyclopropylmethyl)benzoic acid
CAS Number:
1093214-56-2
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD20660132
IUPAC Name:
4-(cyclopropylmethyl)benzoic acid
InChI:
InChI=1S/C11H12O2/c12-11(13)10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8H,1-2,7H2,(H,12,13)
InChI Key:
PRQDVTYKDOKDPZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CC1CC1
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties