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1439899-07-6 | 2-(1-m-Tolylcyclobutyl)acetic acid
CAS No: 1439899-07-6 Catalog No: AG01FE6Y MDL No:
Product Description
Catalog Number:
AG01FE6Y
Chemical Name:
2-(1-m-Tolylcyclobutyl)acetic acid
CAS Number:
1439899-07-6
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-[1-(3-methylphenyl)cyclobutyl]acetic acid
InChI:
InChI=1S/C13H16O2/c1-10-4-2-5-11(8-10)13(6-3-7-13)9-12(14)15/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)
InChI Key:
NZKHAEAKWUFJHW-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCC1)c1cccc(c1)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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