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115033-69-7 | Benzoic acid, 2-(4-penten-1-yl)-
CAS No: 115033-69-7 Catalog No: AG000FRM MDL No:
Product Description
Catalog Number:
AG000FRM
Chemical Name:
Benzoic acid, 2-(4-penten-1-yl)-
CAS Number:
115033-69-7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2-pent-4-enylbenzoic acid
InChI:
InChI=1S/C12H14O2/c1-2-3-4-7-10-8-5-6-9-11(10)12(13)14/h2,5-6,8-9H,1,3-4,7H2,(H,13,14)
InChI Key:
TZKMAKXPMDLPKX-UHFFFAOYSA-N
SMILES:
C=CCCCc1ccccc1C(=O)O
Properties
Complexity:
199
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:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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