Home Other Building Blocks 3-(1-METHYLCYCLOPROPYL)BENZOIC ACID

3-(1-METHYLCYCLOPROPYL)BENZOIC ACID

CAS No.:
131170-39-3
Catalog Number:
AG01DV8F
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01DV8F
Chemical Name:
3-(1-METHYLCYCLOPROPYL)BENZOIC ACID
CAS Number:
131170-39-3
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD18911008
IUPAC Name:
3-(1-methylcyclopropyl)benzoic acid
InChI:
InChI=1S/C11H12O2/c1-11(5-6-11)9-4-2-3-8(7-9)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChI Key:
FLWNINVYCYHRKV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C1(C)CC1
Properties
Complexity:
218  
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:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties