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114672-02-5 | Cyclobutanecarboxylic acid, 1-(phenylmethyl)-
CAS No: 114672-02-5 Catalog No: AG000F05 MDL No:MFCD11848869
Product Description
Catalog Number:
AG000F05
Chemical Name:
Cyclobutanecarboxylic acid, 1-(phenylmethyl)-
CAS Number:
114672-02-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD11848869
IUPAC Name:
1-benzylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H14O2/c13-11(14)12(7-4-8-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChI Key:
HMKZTNDNIPVLQW-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC1)Cc1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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